2-(3,4-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide

C16H26N2O — CID 43112841

IUPAC2-(3,4-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Nc1ccc(C)c(C)c1
InChIInChI=1S/C16H26N2O/c1-7-16(5,6)18-15(19)13(4)17-14-9-8-11(2)12(3)10-14/h8-10,13,17H,7H2,1-6H3,(H,18,19)
InChIKeyHBJJDMXJQCXTSD-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.41
Rot. Bonds5

About 2-(3,4-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide

2-(3,4-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide (PubChem CID 43112841) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide
PubChem CID43112841
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(3,4-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Nc1ccc(C)c(C)c1
InChIInChI=1S/C16H26N2O/c1-7-16(5,6)18-15(19)13(4)17-14-9-8-11(2)12(3)10-14/h8-10,13,17H,7H2,1-6H3,(H,18,19)
InChIKeyHBJJDMXJQCXTSD-UHFFFAOYSA-N
XLogP3.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dicyanoanilino)-N-(2-methylbutan-2-yl)propanamide
CID 107789327
(2R)-2-(4-acetamido-3-methoxyanilino)-N-(2-methylbutan-2-yl)propanamide
CID 94641742
N-(tert-butylcarbamoyl)-2-(3,4-dimethylanilino)propanamide
CID 51242354
2-[4-(dimethylamino)anilino]-N-(2-methylbutan-2-yl)propanamide
CID 43617105
4-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]benzamide
CID 43112980
2-(2-chloro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 107634715
2-(2-fluoro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43122827
N-tert-butyl-2-[3-(dimethylamino)-4-methylanilino]propanamide
CID 115378236
N-(2-methylbutan-2-yl)-2-[(1-methylpyrazol-4-yl)amino]propanamide
CID 79779147
2-(2,4-dibromoanilino)-N-(2-methylbutan-2-yl)propanamide
CID 61473722
(2R)-N-tert-butyl-2-(3-methyl-4-nitroanilino)propanamide
CID 95904358
2-(3-chloro-2-methylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43113422

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(3,4-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide (CID 43112841) is 2-(3,4-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(3,4-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(3,4-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)Nc1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is HBJJDMXJQCXTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-7-16(5,6)18-15(19)13(4)17-14-9-8-11(2)12(3)10-14/h8-10,13,17H,7H2,1-6H3,(H,18,19).
What are the key properties of 2-(3,4-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide?
2-(3,4-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 262.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 43112841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).