(2S)-2-acetamido-3-(4-hydroxyphenyl)-N-methylpropanamide

(2S)-2-acetamido-3-(4-hydroxyphenyl)-N-methylpropanamide

CAS: 6367-14-2

Formula: C12H16N2O3

SMILES: CNC(=O)[C@H](CC1=CC=C(O)C=C1)NC(C)=O

IUPAC: (2S)-2-acetamido-3-(4-hydroxyphenyl)-N-methylpropanamide

InChI: InChI=1S/C12H16N2O3/c1-8(15)14-11(12(17)13-2)7-9-3-5-10(16)6-4-9/h3-6,11,16H,7H2,1-2H3,(H,13,17)(H,14,15)/t11-/m0/s1

Composition: C (61.00%), H (6.83%), N (11.86%), O (20.31%)

Molar Mass: 236.271

Atom Count: 33

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	236.116092383
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	KHRMBHFDICMQHO-NSHDSACASA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.26
Topological Polar Surface Area	78.43
Polarizability	24.42
Ring Count	1
Rotatable Bond Count	4

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