2-(N-acetyl-3,5-dimethylanilino)-N-butyl-N-methylacetamide

C17H26N2O2 — CID 113168509

IUPAC2-(N-acetyl-3,5-dimethylanilino)-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)CN(C(C)=O)c1cc(C)cc(C)c1
InChIInChI=1S/C17H26N2O2/c1-6-7-8-18(5)17(21)12-19(15(4)20)16-10-13(2)9-14(3)11-16/h9-11H,6-8,12H2,1-5H3
InChIKeyGTXFHDXSQRKVAY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.91
Rot. Bonds6

About 2-(N-acetyl-3,5-dimethylanilino)-N-butyl-N-methylacetamide

2-(N-acetyl-3,5-dimethylanilino)-N-butyl-N-methylacetamide (PubChem CID 113168509) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(N-acetyl-3,5-dimethylanilino)-N-butyl-N-methylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,5-dimethylanilino)-N-butyl-N-methylacetamide
PubChem CID113168509
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(N-acetyl-3,5-dimethylanilino)-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)CN(C(C)=O)c1cc(C)cc(C)c1
InChIInChI=1S/C17H26N2O2/c1-6-7-8-18(5)17(21)12-19(15(4)20)16-10-13(2)9-14(3)11-16/h9-11H,6-8,12H2,1-5H3
InChIKeyGTXFHDXSQRKVAY-UHFFFAOYSA-N
XLogP2.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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-4-bromoanilino)-N-butyl-N-methylacetamide
CID 113172969
2-(N-acetyl-2-methylanilino)-N-butyl-N-methylacetamide
CID 113167338
2-(N-acetyl-3-methoxyanilino)-N-butyl-N-methylacetamide
CID 113173373
2-(N-acetyl-2,3-dimethylanilino)-N-butyl-N-methylacetamide
CID 113168897
2-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylacetamide
CID 113171731
3-(N-acetyl-2,4-dimethylanilino)-N-butyl-N-methylpropanamide
CID 113124190
2-(N-acetyl-2-tert-butylanilino)-N-butyl-N-methylacetamide
CID 113170458
2-(N-acetyl-3-methylanilino)-N,N-dipropylacetamide
CID 113167538
2-(N-acetyl-3,5-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 113168480
2-(N-acetyl-2-morpholin-4-ylanilino)-N-butyl-N-methylacetamide
CID 113177315

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,5-dimethylanilino)-N-butyl-N-methylacetamide?
The IUPAC name of 2-(N-acetyl-3,5-dimethylanilino)-N-butyl-N-methylacetamide (CID 113168509) is 2-(N-acetyl-3,5-dimethylanilino)-N-butyl-N-methylacetamide.
What is the SMILES notation for 2-(N-acetyl-3,5-dimethylanilino)-N-butyl-N-methylacetamide?
The canonical SMILES for 2-(N-acetyl-3,5-dimethylanilino)-N-butyl-N-methylacetamide is CCCCN(C)C(=O)CN(C(C)=O)c1cc(C)cc(C)c1.
What is the InChIKey of 2-(N-acetyl-3,5-dimethylanilino)-N-butyl-N-methylacetamide?
The InChIKey is GTXFHDXSQRKVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-6-7-8-18(5)17(21)12-19(15(4)20)16-10-13(2)9-14(3)11-16/h9-11H,6-8,12H2,1-5H3.
What are the key properties of 2-(N-acetyl-3,5-dimethylanilino)-N-butyl-N-methylacetamide?
2-(N-acetyl-3,5-dimethylanilino)-N-butyl-N-methylacetamide has a molecular weight of 290.41 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3,5-dimethylanilino)-N-butyl-N-methylacetamide is sourced from PubChem (CID 113168509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).