2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide

C16H17NO4 — CID 103945214

IUPAC2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@H](CO)c2ccccc2)c1O
InChIInChI=1S/C16H17NO4/c1-21-14-9-5-8-12(15(14)19)16(20)17-13(10-18)11-6-3-2-4-7-11/h2-9,13,18-19H,10H2,1H3,(H,17,20)/t13-/m1/s1
InChIKeyUMVHLZMVRNABDV-CYBMUJFWSA-N
MW287.32 g/mol
LogP1.86
Rot. Bonds5

About 2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide

2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide (PubChem CID 103945214) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
PubChem CID103945214
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@H](CO)c2ccccc2)c1O
InChIInChI=1S/C16H17NO4/c1-21-14-9-5-8-12(15(14)19)16(20)17-13(10-18)11-6-3-2-4-7-11/h2-9,13,18-19H,10H2,1H3,(H,17,20)/t13-/m1/s1
InChIKeyUMVHLZMVRNABDV-CYBMUJFWSA-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

Analyze 2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxybenzamide
CID 39370043
N-(2-amino-1-phenylethyl)-2-hydroxy-3-methoxybenzamide
CID 63753586
2-hydroxy-3-methoxy-N-(1-phenylethyl)benzamide
CID 43176488
3-amino-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 58736733
5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide
CID 63184777
N-(2-chloro-1-phenylethyl)-2-methoxybenzamide
CID 114300240
N-[(1R)-2-hydroxy-1-phenylethyl]-2-[[6-[[2-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]phenoxy]methyl]-2-pyridinyl]methoxy]benzamide
CID 11365555
N-(2-hydroxy-1-phenylethyl)-2-(methoxymethyl)benzamide
CID 63182538
2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methoxybenzamide
CID 103944607
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide
CID 103945018

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide?
The IUPAC name of 2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide (CID 103945214) is 2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide.
What is the SMILES notation for 2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide?
The canonical SMILES for 2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide is COc1cccc(C(=O)N[C@H](CO)c2ccccc2)c1O.
What is the InChIKey of 2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide?
The InChIKey is UMVHLZMVRNABDV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17NO4/c1-21-14-9-5-8-12(15(14)19)16(20)17-13(10-18)11-6-3-2-4-7-11/h2-9,13,18-19H,10H2,1H3,(H,17,20)/t13-/m1/s1.
What are the key properties of 2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide?
2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-3-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-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide is sourced from PubChem (CID 103945214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).