2-[4-(dimethylamino)anilino]-N-(2-methylbutan-2-yl)propanamide

C16H27N3O — CID 43617105

IUPAC2-[4-(dimethylamino)anilino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C16H27N3O/c1-7-16(3,4)18-15(20)12(2)17-13-8-10-14(11-9-13)19(5)6/h8-12,17H,7H2,1-6H3,(H,18,20)
InChIKeyPDGGTIJDXKCUPK-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.86
Rot. Bonds6

About 2-[4-(dimethylamino)anilino]-N-(2-methylbutan-2-yl)propanamide

2-[4-(dimethylamino)anilino]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 43617105) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[4-(dimethylamino)anilino]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)anilino]-N-(2-methylbutan-2-yl)propanamide
PubChem CID43617105
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[4-(dimethylamino)anilino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C16H27N3O/c1-7-16(3,4)18-15(20)12(2)17-13-8-10-14(11-9-13)19(5)6/h8-12,17H,7H2,1-6H3,(H,18,20)
InChIKeyPDGGTIJDXKCUPK-UHFFFAOYSA-N
XLogP2.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]benzamide
CID 43112980
2-(3,4-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43112841
2-[4-(dimethylamino)anilino]-N-pentan-2-ylpropanamide
CID 43617104
2-(3,4-dicyanoanilino)-N-(2-methylbutan-2-yl)propanamide
CID 107789327
(2R)-2-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 41236597
N-tert-butyl-2-(4-ethylanilino)propanamide
CID 45282110
methyl N-[4-[[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 94643027
(2R)-2-(4-acetamido-3-methoxyanilino)-N-(2-methylbutan-2-yl)propanamide
CID 94641742
N-(2-methylbutan-2-yl)-2-[(1-methylpyrazol-4-yl)amino]propanamide
CID 79779147
2-(2,3-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43113343
2-(2,4-dibromoanilino)-N-(2-methylbutan-2-yl)propanamide
CID 61473722
(2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide
CID 35994885

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)anilino]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[4-(dimethylamino)anilino]-N-(2-methylbutan-2-yl)propanamide (CID 43617105) is 2-[4-(dimethylamino)anilino]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[4-(dimethylamino)anilino]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[4-(dimethylamino)anilino]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)Nc1ccc(N(C)C)cc1.
What is the InChIKey of 2-[4-(dimethylamino)anilino]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is PDGGTIJDXKCUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-7-16(3,4)18-15(20)12(2)17-13-8-10-14(11-9-13)19(5)6/h8-12,17H,7H2,1-6H3,(H,18,20).
What are the key properties of 2-[4-(dimethylamino)anilino]-N-(2-methylbutan-2-yl)propanamide?
2-[4-(dimethylamino)anilino]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 277.41 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)anilino]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 43617105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).