2-[2-(hydroxymethyl)anilino]-N-naphthalen-1-ylacetamide

C19H18N2O2 — CID 176907917

IUPAC2-[2-(hydroxymethyl)anilino]-N-naphthalen-1-ylacetamide
SMILESO=C(CNc1ccccc1CO)Nc1cccc2ccccc12
InChIInChI=1S/C19H18N2O2/c22-13-15-7-2-4-10-17(15)20-12-19(23)21-18-11-5-8-14-6-1-3-9-16(14)18/h1-11,20,22H,12-13H2,(H,21,23)
InChIKeyRLBPUWIAFBJRAL-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.38
Rot. Bonds5

About 2-[2-(hydroxymethyl)anilino]-N-naphthalen-1-ylacetamide

2-[2-(hydroxymethyl)anilino]-N-naphthalen-1-ylacetamide (PubChem CID 176907917) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)anilino]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)anilino]-N-naphthalen-1-ylacetamide
PubChem CID176907917
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-[2-(hydroxymethyl)anilino]-N-naphthalen-1-ylacetamide
SMILESO=C(CNc1ccccc1CO)Nc1cccc2ccccc12
InChIInChI=1S/C19H18N2O2/c22-13-15-7-2-4-10-17(15)20-12-19(23)21-18-11-5-8-14-6-1-3-9-16(14)18/h1-11,20,22H,12-13H2,(H,21,23)
InChIKeyRLBPUWIAFBJRAL-UHFFFAOYSA-N
XLogP3.38
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-N-naphthalen-1-ylacetamide
CID 767556
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
2-(naphthalen-1-ylamino)-N-phenylacetamide
CID 9082358
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-naphthalen-1-ylacetamide
CID 86786954
2-[2-(hydroxymethyl)anilino]-N-(4-methoxyphenyl)acetamide
CID 141405413
N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-phenylacetamide
CID 24637856
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
2-[(2-chlorophenyl)methylamino]-N-naphthalen-1-ylacetamide
CID 3974047
2-(2-fluorophenyl)-N-naphthalen-1-ylacetamide
CID 836511
3-fluoro-N-naphthalen-1-ylpropanamide
CID 67224476
2-(naphthalen-1-ylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54809130

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)anilino]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[2-(hydroxymethyl)anilino]-N-naphthalen-1-ylacetamide (CID 176907917) is 2-[2-(hydroxymethyl)anilino]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)anilino]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)anilino]-N-naphthalen-1-ylacetamide is O=C(CNc1ccccc1CO)Nc1cccc2ccccc12.
What is the InChIKey of 2-[2-(hydroxymethyl)anilino]-N-naphthalen-1-ylacetamide?
The InChIKey is RLBPUWIAFBJRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-13-15-7-2-4-10-17(15)20-12-19(23)21-18-11-5-8-14-6-1-3-9-16(14)18/h1-11,20,22H,12-13H2,(H,21,23).
What are the key properties of 2-[2-(hydroxymethyl)anilino]-N-naphthalen-1-ylacetamide?
2-[2-(hydroxymethyl)anilino]-N-naphthalen-1-ylacetamide has a molecular weight of 306.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)anilino]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 176907917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).