2-(N-acetyl-3-methoxyanilino)-N-butyl-N-methylacetamide

C16H24N2O3 — CID 113173373

IUPAC2-(N-acetyl-3-methoxyanilino)-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)CN(C(C)=O)c1cccc(OC)c1
InChIInChI=1S/C16H24N2O3/c1-5-6-10-17(3)16(20)12-18(13(2)19)14-8-7-9-15(11-14)21-4/h7-9,11H,5-6,10,12H2,1-4H3
InChIKeyAZXNKHXNHBMSJZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.31
Rot. Bonds7

About 2-(N-acetyl-3-methoxyanilino)-N-butyl-N-methylacetamide

2-(N-acetyl-3-methoxyanilino)-N-butyl-N-methylacetamide (PubChem CID 113173373) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(N-acetyl-3-methoxyanilino)-N-butyl-N-methylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-methoxyanilino)-N-butyl-N-methylacetamide
PubChem CID113173373
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(N-acetyl-3-methoxyanilino)-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)CN(C(C)=O)c1cccc(OC)c1
InChIInChI=1S/C16H24N2O3/c1-5-6-10-17(3)16(20)12-18(13(2)19)14-8-7-9-15(11-14)21-4/h7-9,11H,5-6,10,12H2,1-4H3
InChIKeyAZXNKHXNHBMSJZ-UHFFFAOYSA-N
XLogP2.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-3-methylanilino)-N-butyl-N-methylacetamide
CID 113167534
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-butyl-N-methylacetamide
CID 113179148
2-(N-acetyl-3,5-dimethylanilino)-N-butyl-N-methylacetamide
CID 113168509
2-(N-acetyl-4-bromoanilino)-N-butyl-N-methylacetamide
CID 113172969
N-butyl-3-(3-methoxyphenyl)-N-methylbutanamide
CID 110675714
N'-butyl-N-(3-methoxyphenyl)-N'-methylpropanediamide
CID 108952045
2-(N-acetyl-2-methylanilino)-N-butyl-N-methylacetamide
CID 113167338
2-(N-acetyl-2,3-dimethylanilino)-N-butyl-N-methylacetamide
CID 113168897
N-[2-(N-acetyl-3-methoxyanilino)ethyl]butanamide
CID 113060528
ethyl 4-[2-(N-acetyl-3-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 113173356
2-[butyl(ethyl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 86910816
2-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylacetamide
CID 113171731

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-methoxyanilino)-N-butyl-N-methylacetamide?
The IUPAC name of 2-(N-acetyl-3-methoxyanilino)-N-butyl-N-methylacetamide (CID 113173373) is 2-(N-acetyl-3-methoxyanilino)-N-butyl-N-methylacetamide.
What is the SMILES notation for 2-(N-acetyl-3-methoxyanilino)-N-butyl-N-methylacetamide?
The canonical SMILES for 2-(N-acetyl-3-methoxyanilino)-N-butyl-N-methylacetamide is CCCCN(C)C(=O)CN(C(C)=O)c1cccc(OC)c1.
What is the InChIKey of 2-(N-acetyl-3-methoxyanilino)-N-butyl-N-methylacetamide?
The InChIKey is AZXNKHXNHBMSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-6-10-17(3)16(20)12-18(13(2)19)14-8-7-9-15(11-14)21-4/h7-9,11H,5-6,10,12H2,1-4H3.
What are the key properties of 2-(N-acetyl-3-methoxyanilino)-N-butyl-N-methylacetamide?
2-(N-acetyl-3-methoxyanilino)-N-butyl-N-methylacetamide has a molecular weight of 292.38 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-methoxyanilino)-N-butyl-N-methylacetamide is sourced from PubChem (CID 113173373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).