4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

C17H19NO2 — CID 103945042

IUPAC4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
SMILESCCc1ccc(C(=O)N[C@H](CO)c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-2-13-8-10-15(11-9-13)17(20)18-16(12-19)14-6-4-3-5-7-14/h3-11,16,19H,2,12H2,1H3,(H,18,20)/t16-/m1/s1
InChIKeyKUCKHGIDKGPESH-MRXNPFEDSA-N
MW269.34 g/mol
LogP2.71
Rot. Bonds5

About 4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (PubChem CID 103945042) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
PubChem CID103945042
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
SMILESCCc1ccc(C(=O)N[C@H](CO)c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-2-13-8-10-15(11-9-13)17(20)18-16(12-19)14-6-4-3-5-7-14/h3-11,16,19H,2,12H2,1H3,(H,18,20)/t16-/m1/s1
InChIKeyKUCKHGIDKGPESH-MRXNPFEDSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(hydroxymethyl)-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182295
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
4-(4-ethylphenyl)-N-(2-hydroxy-1-phenylethyl)-4-oxobutanamide
CID 110001369
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide
CID 63182176
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
N-(2-hydroxy-1-phenylethyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 110001285
4-ethyl-N-[(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylethyl]benzamide
CID 54166199
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The IUPAC name of 4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (CID 103945042) is 4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The canonical SMILES for 4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is CCc1ccc(C(=O)N[C@H](CO)c2ccccc2)cc1.
What is the InChIKey of 4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The InChIKey is KUCKHGIDKGPESH-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-13-8-10-15(11-9-13)17(20)18-16(12-19)14-6-4-3-5-7-14/h3-11,16,19H,2,12H2,1H3,(H,18,20)/t16-/m1/s1.
What are the key properties of 4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide has a molecular weight of 269.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is sourced from PubChem (CID 103945042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).