2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methoxybenzamide

C16H17NO4 — CID 103944607

IUPAC2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](CO)c2ccccc2)c(O)c1
InChIInChI=1S/C16H17NO4/c1-21-12-7-8-13(15(19)9-12)16(20)17-14(10-18)11-5-3-2-4-6-11/h2-9,14,18-19H,10H2,1H3,(H,17,20)/t14-/m0/s1
InChIKeyAJQQZSLGPNMZHM-AWEZNQCLSA-N
MW287.32 g/mol
LogP1.86
Rot. Bonds5

About 2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methoxybenzamide

2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methoxybenzamide (PubChem CID 103944607) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methoxybenzamide
PubChem CID103944607
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](CO)c2ccccc2)c(O)c1
InChIInChI=1S/C16H17NO4/c1-21-12-7-8-13(15(19)9-12)16(20)17-14(10-18)11-5-3-2-4-6-11/h2-9,14,18-19H,10H2,1H3,(H,17,20)/t14-/m0/s1
InChIKeyAJQQZSLGPNMZHM-AWEZNQCLSA-N
XLogP1.86
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-hydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182530
N-(2-hydroxy-1-phenylethyl)-6-methoxy-2-methylquinoline-4-carboxamide
CID 110001393
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxybenzamide
CID 39370043
3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid
CID 45461179
2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
CID 103945214
4-hydroxy-2-[(2-hydroxy-4-methoxybenzoyl)amino]butanoic acid
CID 61243996
N-(2-hydroxy-1-phenylethyl)-2-(methoxymethyl)benzamide
CID 63182538
5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide
CID 63184777
N-(1-aminobutan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 63754997
N-(2-chloro-1-phenylethyl)-2,4-dihydroxybenzamide
CID 107725945
2-hydroxy-4-methoxy-N-(5-methylhexan-2-yl)benzamide
CID 43019441
2-bromo-N-(2-chloro-1-phenylethyl)-5-methoxybenzamide
CID 114300077

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methoxybenzamide?
The IUPAC name of 2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methoxybenzamide (CID 103944607) is 2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methoxybenzamide.
What is the SMILES notation for 2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methoxybenzamide?
The canonical SMILES for 2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@@H](CO)c2ccccc2)c(O)c1.
What is the InChIKey of 2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methoxybenzamide?
The InChIKey is AJQQZSLGPNMZHM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17NO4/c1-21-12-7-8-13(15(19)9-12)16(20)17-14(10-18)11-5-3-2-4-6-11/h2-9,14,18-19H,10H2,1H3,(H,17,20)/t14-/m0/s1.
What are the key properties of 2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methoxybenzamide?
2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methoxybenzamide has a molecular weight of 287.32 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methoxybenzamide is sourced from PubChem (CID 103944607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).