2-[2-(hydroxymethyl)anilino]-N-(4-methoxyphenyl)acetamide

C16H18N2O3 — CID 141405413

IUPAC2-[2-(hydroxymethyl)anilino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccccc2CO)cc1
InChIInChI=1S/C16H18N2O3/c1-21-14-8-6-13(7-9-14)18-16(20)10-17-15-5-3-2-4-12(15)11-19/h2-9,17,19H,10-11H2,1H3,(H,18,20)
InChIKeySQIUSDLNNRXPIH-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.24
Rot. Bonds6

About 2-[2-(hydroxymethyl)anilino]-N-(4-methoxyphenyl)acetamide

2-[2-(hydroxymethyl)anilino]-N-(4-methoxyphenyl)acetamide (PubChem CID 141405413) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)anilino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)anilino]-N-(4-methoxyphenyl)acetamide
PubChem CID141405413
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[2-(hydroxymethyl)anilino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccccc2CO)cc1
InChIInChI=1S/C16H18N2O3/c1-21-14-8-6-13(7-9-14)18-16(20)10-17-15-5-3-2-4-12(15)11-19/h2-9,17,19H,10-11H2,1H3,(H,18,20)
InChIKeySQIUSDLNNRXPIH-UHFFFAOYSA-N
XLogP2.24
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylanilino)-N-(4-methoxyphenyl)acetamide
CID 26439643
2-(2-ethoxyanilino)-N-(4-methoxyphenyl)acetamide
CID 26438880
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9105493
N-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 9084498
2-[2-(hydroxymethyl)anilino]-N-naphthalen-1-ylacetamide
CID 176907917
N-(4-methoxyphenyl)-2-(2-methylphenyl)acetamide
CID 6467093
2-[2-(3,4-dimethoxyphenyl)sulfonylanilino]-N-(4-methoxyphenyl)acetamide
CID 22307621
N-(4-ethoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 9080558
[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
CID 67025275
2-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9105472
N-(4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816512

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)anilino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)anilino]-N-(4-methoxyphenyl)acetamide (CID 141405413) is 2-[2-(hydroxymethyl)anilino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)anilino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)anilino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CNc2ccccc2CO)cc1.
What is the InChIKey of 2-[2-(hydroxymethyl)anilino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is SQIUSDLNNRXPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-21-14-8-6-13(7-9-14)18-16(20)10-17-15-5-3-2-4-12(15)11-19/h2-9,17,19H,10-11H2,1H3,(H,18,20).
What are the key properties of 2-[2-(hydroxymethyl)anilino]-N-(4-methoxyphenyl)acetamide?
2-[2-(hydroxymethyl)anilino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 286.33 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)anilino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 141405413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).