N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide

C16H17NO3 — CID 43416663

IUPACN-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C(C)O)cc2)c1
InChIInChI=1S/C16H17NO3/c1-11(18)12-6-8-14(9-7-12)17-16(19)13-4-3-5-15(10-13)20-2/h3-11,18H,1-2H3,(H,17,19)
InChIKeyAIZROKPYYKOERR-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.00
Rot. Bonds4

About N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide

N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide (PubChem CID 43416663) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide
PubChem CID43416663
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C(C)O)cc2)c1
InChIInChI=1S/C16H17NO3/c1-11(18)12-6-8-14(9-7-12)17-16(19)13-4-3-5-15(10-13)20-2/h3-11,18H,1-2H3,(H,17,19)
InChIKeyAIZROKPYYKOERR-UHFFFAOYSA-N
XLogP3.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
N-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylbenzamide
CID 93040828
3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980344
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
3-methoxy-N-(4-methylsulfonylphenyl)benzamide
CID 4786053
3-methoxy-N-[4-(N-methylanilino)phenyl]benzamide
CID 112986095
3-methoxy-N-[4-(propylamino)phenyl]benzamide
CID 112979702
4-[[3-[(3-methoxybenzoyl)amino]benzoyl]amino]benzoate
CID 4077385
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-methoxybenzamide
CID 74313239
N-[4-[(1R)-1-hydroxyethyl]phenyl]-2,4-dimethoxybenzamide
CID 100803459
N-(3-butan-2-ylphenyl)-3-methoxybenzamide
CID 139481676
3-methoxy-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017819

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide (CID 43416663) is N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(C(C)O)cc2)c1.
What is the InChIKey of N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide?
The InChIKey is AIZROKPYYKOERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11(18)12-6-8-14(9-7-12)17-16(19)13-4-3-5-15(10-13)20-2/h3-11,18H,1-2H3,(H,17,19).
What are the key properties of N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide?
N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide has a molecular weight of 271.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 43416663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).