N-(4-methylphenyl)-8-(pyrimidin-2-yl)-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide

N-(4-methylphenyl)-8-(pyrimidin-2-yl)-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide

CAS: 338761-44-7

Formula: C19H23N5O2

SMILES: CC1=CC=C(NC(=O)N2CCOC22CCN(CC2)C2=NC=CC=N2)C=C1

IUPAC: N-(4-methylphenyl)-8-(pyrimidin-2-yl)-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide

InChI: InChI=1S/C19H23N5O2/c1-15-3-5-16(6-4-15)22-18(25)24-13-14-26-19(24)7-11-23(12-8-19)17-20-9-2-10-21-17/h2-6,9-10H,7-8,11-14H2,1H3,(H,22,25)

Composition: C (64.57%), H (6.56%), N (19.82%), O (9.05%)

Molar Mass: 353.426

Atom Count: 49

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	353.185175001
Formal Charge	0
FSP3	0.42
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	RUCHJINCTAEEHL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.41
Topological Polar Surface Area	70.59
Polarizability	37.35
Ring Count	4
Rotatable Bond Count	2

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