N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methylprop-2-enoxy)benzamide

C19H21NO3 — CID 46984256

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1cccc(C(=O)N[C@H](CO)c2ccccc2)c1
InChIInChI=1S/C19H21NO3/c1-14(2)13-23-17-10-6-9-16(11-17)19(22)20-18(12-21)15-7-4-3-5-8-15/h3-11,18,21H,1,12-13H2,2H3,(H,20,22)/t18-/m1/s1
InChIKeyNIEBAZHAYXVDGH-GOSISDBHSA-N
MW311.38 g/mol
LogP3.10
Rot. Bonds7

About N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methylprop-2-enoxy)benzamide

N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methylprop-2-enoxy)benzamide (PubChem CID 46984256) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methylprop-2-enoxy)benzamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methylprop-2-enoxy)benzamide
PubChem CID46984256
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1cccc(C(=O)N[C@H](CO)c2ccccc2)c1
InChIInChI=1S/C19H21NO3/c1-14(2)13-23-17-10-6-9-16(11-17)19(22)20-18(12-21)15-7-4-3-5-8-15/h3-11,18,21H,1,12-13H2,2H3,(H,20,22)/t18-/m1/s1
InChIKeyNIEBAZHAYXVDGH-GOSISDBHSA-N
XLogP3.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-(2-methylprop-2-enoxy)benzamide
CID 132655047
3-(difluoromethoxy)-N-(2-hydroxy-1-phenylethyl)benzamide
CID 110931053
3-(2-methylprop-2-enoxy)-N-phenylbenzamide
CID 17133045
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(trifluoromethoxy)benzamide
CID 110001668
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
3-(2-amino-2-oxoethoxy)-N-(1,2-diphenylethyl)benzamide
CID 134048589
3-phenylmethoxy-N-[(1S)-1-phenylpropyl]benzamide
CID 93234582
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
4-[(3-ethoxybenzoyl)amino]-4-phenylbutanoic acid
CID 119201351
3-(2-methylprop-2-enoxy)-N-propylbenzamide
CID 17133083

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methylprop-2-enoxy)benzamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methylprop-2-enoxy)benzamide (CID 46984256) is N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methylprop-2-enoxy)benzamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methylprop-2-enoxy)benzamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methylprop-2-enoxy)benzamide is C=C(C)COc1cccc(C(=O)N[C@H](CO)c2ccccc2)c1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methylprop-2-enoxy)benzamide?
The InChIKey is NIEBAZHAYXVDGH-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14(2)13-23-17-10-6-9-16(11-17)19(22)20-18(12-21)15-7-4-3-5-8-15/h3-11,18,21H,1,12-13H2,2H3,(H,20,22)/t18-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methylprop-2-enoxy)benzamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methylprop-2-enoxy)benzamide has a molecular weight of 311.38 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methylprop-2-enoxy)benzamide is sourced from PubChem (CID 46984256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).