N-[4-(2-aminoanilino)-4-oxobutyl]-2,2-dimethylpropanamide

C15H23N3O2 — CID 119422393

IUPACN-[4-(2-aminoanilino)-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)Nc1ccccc1N
InChIInChI=1S/C15H23N3O2/c1-15(2,3)14(20)17-10-6-9-13(19)18-12-8-5-4-7-11(12)16/h4-5,7-8H,6,9-10,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyVCVMTUCKZSPNGQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.15
Rot. Bonds5

About N-[4-(2-aminoanilino)-4-oxobutyl]-2,2-dimethylpropanamide

N-[4-(2-aminoanilino)-4-oxobutyl]-2,2-dimethylpropanamide (PubChem CID 119422393) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[4-(2-aminoanilino)-4-oxobutyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(2-aminoanilino)-4-oxobutyl]-2,2-dimethylpropanamide
PubChem CID119422393
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[4-(2-aminoanilino)-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)Nc1ccccc1N
InChIInChI=1S/C15H23N3O2/c1-15(2,3)14(20)17-10-6-9-13(19)18-12-8-5-4-7-11(12)16/h4-5,7-8H,6,9-10,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyVCVMTUCKZSPNGQ-UHFFFAOYSA-N
XLogP2.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-[4-(2-methylanilino)-4-oxobutyl]propanamide
CID 32688592
N-[5-(2-aminoanilino)-5-oxopentyl]benzamide
CID 155547009
N-(2-aminophenyl)octadecanamide
CID 68839220
benzene-1,2-diamine;tert-butyl N-[3-(2-aminoanilino)-3-oxopropyl]carbamate
CID 162109745
N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119422835
N-[4-[(6-amino-1,3-benzodioxol-5-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride
CID 119618559
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
N-(2-aminophenyl)-N'-[2-(trifluoromethoxy)phenyl]heptanediamide
CID 45256999
N-(2-aminophenyl)-7-oxoheptanamide
CID 143955349
N-(2-aminophenyl)-4-ethylsulfinylbutanamide
CID 61303639
N-[6-(2-aminoanilino)-6-oxohexyl]-1H-pyrrole-2-carboxamide
CID 45137576

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoanilino)-4-oxobutyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(2-aminoanilino)-4-oxobutyl]-2,2-dimethylpropanamide (CID 119422393) is N-[4-(2-aminoanilino)-4-oxobutyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(2-aminoanilino)-4-oxobutyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(2-aminoanilino)-4-oxobutyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCCC(=O)Nc1ccccc1N.
What is the InChIKey of N-[4-(2-aminoanilino)-4-oxobutyl]-2,2-dimethylpropanamide?
The InChIKey is VCVMTUCKZSPNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2,3)14(20)17-10-6-9-13(19)18-12-8-5-4-7-11(12)16/h4-5,7-8H,6,9-10,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[4-(2-aminoanilino)-4-oxobutyl]-2,2-dimethylpropanamide?
N-[4-(2-aminoanilino)-4-oxobutyl]-2,2-dimethylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoanilino)-4-oxobutyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 119422393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).