N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]butanamide

N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]butanamide

CAS: 202467-76-3

Formula: C22H45NO3

SMILES: CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCC

IUPAC: N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]butanamide

InChI: InChI=1S/C22H45NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-21(25)20(19-24)23-22(26)17-4-2/h20-21,24-25H,3-19H2,1-2H3,(H,23,26)/t20-,21+/m0/s1

Composition: C (71.11%), H (12.21%), N (3.77%), O (12.92%)

Molar Mass: 371.606

Atom Count: 71

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	371.339944313
Formal Charge	0
FSP3	0.95
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	OQNWHOCKDMLTSP-LEWJYISDSA-N
Lipinski's Rule of Five
Molar Refractivity	109.6
Topological Polar Surface Area	69.56
Polarizability	43.7
Ring Count	0
Rotatable Bond Count	19

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