N-[2,5-bis(hydroxymethyl)-4-(4-methylphenyl)phenyl]acetamide

C17H19NO3 — CID 139679974

IUPACN-[2,5-bis(hydroxymethyl)-4-(4-methylphenyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(CO)c(-c2ccc(C)cc2)cc1CO
InChIInChI=1S/C17H19NO3/c1-11-3-5-13(6-4-11)16-7-15(10-20)17(18-12(2)21)8-14(16)9-19/h3-8,19-20H,9-10H2,1-2H3,(H,18,21)
InChIKeyPFYFHXNOKGNKTI-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.61
Rot. Bonds4

About N-[2,5-bis(hydroxymethyl)-4-(4-methylphenyl)phenyl]acetamide

N-[2,5-bis(hydroxymethyl)-4-(4-methylphenyl)phenyl]acetamide (PubChem CID 139679974) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[2,5-bis(hydroxymethyl)-4-(4-methylphenyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2,5-bis(hydroxymethyl)-4-(4-methylphenyl)phenyl]acetamide
PubChem CID139679974
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-[2,5-bis(hydroxymethyl)-4-(4-methylphenyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(CO)c(-c2ccc(C)cc2)cc1CO
InChIInChI=1S/C17H19NO3/c1-11-3-5-13(6-4-11)16-7-15(10-20)17(18-12(2)21)8-14(16)9-19/h3-8,19-20H,9-10H2,1-2H3,(H,18,21)
InChIKeyPFYFHXNOKGNKTI-UHFFFAOYSA-N
XLogP2.61
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-acetyl-2-(4-methylphenyl)phenyl]acetamide
CID 126646825
N-(2-ethyl-4-methylphenyl)acetamide
CID 89198969
3-acetamido-4-(hydroxymethyl)benzoic acid
CID 167726938
ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
N-[2,6-bis(4-methylphenyl)phenyl]acetamide
CID 11278492
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]carbamate
CID 68583241
[2,5-bis(2,5-dimethylphenyl)-4-(hydroxymethyl)phenyl]methanol
CID 22146242
N-[4-[4-(4-methylphenyl)-1H-pyrrol-3-yl]phenyl]acetamide
CID 90645921
N-(4-methylphenyl)acetamide
CID 7684
N-(2-acetamido-5-methylphenyl)-3-aminopropanamide
CID 82034596
ethane;2-(hydroxymethyl)-5-(4-methylphenyl)benzoic acid
CID 143170449

Frequently Asked Questions

What is the IUPAC name of N-[2,5-bis(hydroxymethyl)-4-(4-methylphenyl)phenyl]acetamide?
The IUPAC name of N-[2,5-bis(hydroxymethyl)-4-(4-methylphenyl)phenyl]acetamide (CID 139679974) is N-[2,5-bis(hydroxymethyl)-4-(4-methylphenyl)phenyl]acetamide.
What is the SMILES notation for N-[2,5-bis(hydroxymethyl)-4-(4-methylphenyl)phenyl]acetamide?
The canonical SMILES for N-[2,5-bis(hydroxymethyl)-4-(4-methylphenyl)phenyl]acetamide is CC(=O)Nc1cc(CO)c(-c2ccc(C)cc2)cc1CO.
What is the InChIKey of N-[2,5-bis(hydroxymethyl)-4-(4-methylphenyl)phenyl]acetamide?
The InChIKey is PFYFHXNOKGNKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-3-5-13(6-4-11)16-7-15(10-20)17(18-12(2)21)8-14(16)9-19/h3-8,19-20H,9-10H2,1-2H3,(H,18,21).
What are the key properties of N-[2,5-bis(hydroxymethyl)-4-(4-methylphenyl)phenyl]acetamide?
N-[2,5-bis(hydroxymethyl)-4-(4-methylphenyl)phenyl]acetamide has a molecular weight of 285.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-bis(hydroxymethyl)-4-(4-methylphenyl)phenyl]acetamide is sourced from PubChem (CID 139679974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).