2-[4-(dimethylamino)anilino]-N-pentan-2-ylpropanamide

C16H27N3O — CID 43617104

IUPAC2-[4-(dimethylamino)anilino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C16H27N3O/c1-6-7-12(2)17-16(20)13(3)18-14-8-10-15(11-9-14)19(4)5/h8-13,18H,6-7H2,1-5H3,(H,17,20)
InChIKeyUEIUEVKTBQCPBZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.86
Rot. Bonds7

About 2-[4-(dimethylamino)anilino]-N-pentan-2-ylpropanamide

2-[4-(dimethylamino)anilino]-N-pentan-2-ylpropanamide (PubChem CID 43617104) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[4-(dimethylamino)anilino]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)anilino]-N-pentan-2-ylpropanamide
PubChem CID43617104
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[4-(dimethylamino)anilino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C16H27N3O/c1-6-7-12(2)17-16(20)13(3)18-14-8-10-15(11-9-14)19(4)5/h8-13,18H,6-7H2,1-5H3,(H,17,20)
InChIKeyUEIUEVKTBQCPBZ-UHFFFAOYSA-N
XLogP2.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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'}

Analyze 2-[4-(dimethylamino)anilino]-N-pentan-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-pentan-2-yl-2-(4-propan-2-yloxyanilino)propanamide
CID 43123138
2-[4-(dimethylamino)anilino]-N-(2-methylbutan-2-yl)propanamide
CID 43617105
(2R)-2-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 41236597
methyl N-[4-[[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 94643027
N-butan-2-yl-2-[3-(dimethylamino)-4-methylanilino]propanamide
CID 115378263
2-(3-chloro-4-cyanoanilino)-N-pentan-2-ylpropanamide
CID 43348095
1-N-butan-2-yl-4-N,4-N-dimethylbenzene-1,4-diamine
CID 21430110
2-[4-(dimethylamino)anilino]butanamide
CID 62900216
4-N,4-N-dimethyl-1-N-octan-2-ylbenzene-1,4-diamine
CID 43616946
2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 8864031
2-(3-cyanoanilino)-N-pentan-2-ylpropanamide
CID 43113543
2-(2-fluoroanilino)-N-pentan-2-ylpropanamide
CID 43113411

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)anilino]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[4-(dimethylamino)anilino]-N-pentan-2-ylpropanamide (CID 43617104) is 2-[4-(dimethylamino)anilino]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[4-(dimethylamino)anilino]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[4-(dimethylamino)anilino]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)Nc1ccc(N(C)C)cc1.
What is the InChIKey of 2-[4-(dimethylamino)anilino]-N-pentan-2-ylpropanamide?
The InChIKey is UEIUEVKTBQCPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-6-7-12(2)17-16(20)13(3)18-14-8-10-15(11-9-14)19(4)5/h8-13,18H,6-7H2,1-5H3,(H,17,20).
What are the key properties of 2-[4-(dimethylamino)anilino]-N-pentan-2-ylpropanamide?
2-[4-(dimethylamino)anilino]-N-pentan-2-ylpropanamide has a molecular weight of 277.41 g/mol, XLogP of 2.86, 7 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-pentan-2-ylpropanamide is sourced from PubChem (CID 43617104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).