3-(N-acetyl-3,4-dimethylanilino)-N-(2-methylpropyl)propanamide

C17H26N2O2 — CID 113124465

IUPAC3-(N-acetyl-3,4-dimethylanilino)-N-(2-methylpropyl)propanamide
SMILESCC(=O)N(CCC(=O)NCC(C)C)c1ccc(C)c(C)c1
InChIInChI=1S/C17H26N2O2/c1-12(2)11-18-17(21)8-9-19(15(5)20)16-7-6-13(3)14(4)10-16/h6-7,10,12H,8-9,11H2,1-5H3,(H,18,21)
InChIKeyLWVVGJAGMULCJG-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.82
Rot. Bonds6

About 3-(N-acetyl-3,4-dimethylanilino)-N-(2-methylpropyl)propanamide

3-(N-acetyl-3,4-dimethylanilino)-N-(2-methylpropyl)propanamide (PubChem CID 113124465) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(N-acetyl-3,4-dimethylanilino)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,4-dimethylanilino)-N-(2-methylpropyl)propanamide
PubChem CID113124465
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(N-acetyl-3,4-dimethylanilino)-N-(2-methylpropyl)propanamide
SMILESCC(=O)N(CCC(=O)NCC(C)C)c1ccc(C)c(C)c1
InChIInChI=1S/C17H26N2O2/c1-12(2)11-18-17(21)8-9-19(15(5)20)16-7-6-13(3)14(4)10-16/h6-7,10,12H,8-9,11H2,1-5H3,(H,18,21)
InChIKeyLWVVGJAGMULCJG-UHFFFAOYSA-N
XLogP2.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-3,4-dimethylanilino)-N-propan-2-ylpropanamide
CID 113124461
3-(N-acetylanilino)-N-(2-methylpropyl)propanamide
CID 113123336
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2-methylpropyl)propanamide
CID 113128357
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-3-methylbutanamide
CID 113057868
3-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)propanamide
CID 113126503
3-(N-acetyl-3,5-dichloroanilino)-N-(2-methylpropyl)propanamide
CID 113134052
3-(N-acetyl-3-methoxyanilino)-N-(2-methylpropyl)propanamide
CID 113128873
3-(N-acetyl-3-chloro-4-methylanilino)-N-(3-methylbutyl)propanamide
CID 113128018
3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide
CID 113124546
3-(N-acetyl-3,4-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113124562
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]acetamide
CID 113057862
3-(N-acetyl-3,4-dimethylanilino)-N-(furan-2-ylmethyl)propanamide
CID 113124484

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,4-dimethylanilino)-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-(N-acetyl-3,4-dimethylanilino)-N-(2-methylpropyl)propanamide (CID 113124465) is 3-(N-acetyl-3,4-dimethylanilino)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3,4-dimethylanilino)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3,4-dimethylanilino)-N-(2-methylpropyl)propanamide is CC(=O)N(CCC(=O)NCC(C)C)c1ccc(C)c(C)c1.
What is the InChIKey of 3-(N-acetyl-3,4-dimethylanilino)-N-(2-methylpropyl)propanamide?
The InChIKey is LWVVGJAGMULCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)11-18-17(21)8-9-19(15(5)20)16-7-6-13(3)14(4)10-16/h6-7,10,12H,8-9,11H2,1-5H3,(H,18,21).
What are the key properties of 3-(N-acetyl-3,4-dimethylanilino)-N-(2-methylpropyl)propanamide?
3-(N-acetyl-3,4-dimethylanilino)-N-(2-methylpropyl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3,4-dimethylanilino)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 113124465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).