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

C16H24N2O2 — CID 113167534

IUPAC2-(N-acetyl-3-methylanilino)-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)CN(C(C)=O)c1cccc(C)c1
InChIInChI=1S/C16H24N2O2/c1-5-6-10-17(4)16(20)12-18(14(3)19)15-9-7-8-13(2)11-15/h7-9,11H,5-6,10,12H2,1-4H3
InChIKeyJBCFWWAVPBGFIT-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.61
Rot. Bonds6

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

2-(N-acetyl-3-methylanilino)-N-butyl-N-methylacetamide (PubChem CID 113167534) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(N-acetyl-3-methylanilino)-N-butyl-N-methylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-methylanilino)-N-butyl-N-methylacetamide
PubChem CID113167534
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(N-acetyl-3-methylanilino)-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)CN(C(C)=O)c1cccc(C)c1
InChIInChI=1S/C16H24N2O2/c1-5-6-10-17(4)16(20)12-18(14(3)19)15-9-7-8-13(2)11-15/h7-9,11H,5-6,10,12H2,1-4H3
InChIKeyJBCFWWAVPBGFIT-UHFFFAOYSA-N
XLogP2.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-3,5-dimethylanilino)-N-butyl-N-methylacetamide
CID 113168509
2-(N-acetyl-3-methoxyanilino)-N-butyl-N-methylacetamide
CID 113173373
2-(N-acetyl-3-methylanilino)-N,N-dipropylacetamide
CID 113167538
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
2-(N-acetyl-2-methylanilino)-N-butyl-N-methylacetamide
CID 113167338
2-(N-acetyl-4-bromoanilino)-N-butyl-N-methylacetamide
CID 113172969
2-(N-acetyl-2,3-dimethylanilino)-N-butyl-N-methylacetamide
CID 113168897
3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 109032470
2-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylacetamide
CID 113171731
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-butyl-N-methylacetamide
CID 113179148
N-heptyl-N-(3-methylphenyl)propanamide
CID 167100434
2-(N-acetyl-3,4-dichloroanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113179532

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-methylanilino)-N-butyl-N-methylacetamide?
The IUPAC name of 2-(N-acetyl-3-methylanilino)-N-butyl-N-methylacetamide (CID 113167534) is 2-(N-acetyl-3-methylanilino)-N-butyl-N-methylacetamide.
What is the SMILES notation for 2-(N-acetyl-3-methylanilino)-N-butyl-N-methylacetamide?
The canonical SMILES for 2-(N-acetyl-3-methylanilino)-N-butyl-N-methylacetamide is CCCCN(C)C(=O)CN(C(C)=O)c1cccc(C)c1.
What is the InChIKey of 2-(N-acetyl-3-methylanilino)-N-butyl-N-methylacetamide?
The InChIKey is JBCFWWAVPBGFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-6-10-17(4)16(20)12-18(14(3)19)15-9-7-8-13(2)11-15/h7-9,11H,5-6,10,12H2,1-4H3.
What are the key properties of 2-(N-acetyl-3-methylanilino)-N-butyl-N-methylacetamide?
2-(N-acetyl-3-methylanilino)-N-butyl-N-methylacetamide has a molecular weight of 276.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-methylanilino)-N-butyl-N-methylacetamide is sourced from PubChem (CID 113167534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).