N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-2,2-dimethylpentanamide

C16H26N4O2 — CID 89411525

IUPACN-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-2,2-dimethylpentanamide
SMILESCCCC(C)(C)C(=O)Nc1ccc(NCCC(N)=O)c(N)c1
InChIInChI=1S/C16H26N4O2/c1-4-8-16(2,3)15(22)20-11-5-6-13(12(17)10-11)19-9-7-14(18)21/h5-6,10,19H,4,7-9,17H2,1-3H3,(H2,18,21)(H,20,22)
InChIKeyBWCDVOGYJSVZAH-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.32
Rot. Bonds8

About N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-2,2-dimethylpentanamide

N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-2,2-dimethylpentanamide (PubChem CID 89411525) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-2,2-dimethylpentanamide.

Molecular Properties

Compound NameN-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-2,2-dimethylpentanamide
PubChem CID89411525
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-2,2-dimethylpentanamide
SMILESCCCC(C)(C)C(=O)Nc1ccc(NCCC(N)=O)c(N)c1
InChIInChI=1S/C16H26N4O2/c1-4-8-16(2,3)15(22)20-11-5-6-13(12(17)10-11)19-9-7-14(18)21/h5-6,10,19H,4,7-9,17H2,1-3H3,(H2,18,21)(H,20,22)
InChIKeyBWCDVOGYJSVZAH-UHFFFAOYSA-N
XLogP2.32
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-2,2-dimethylpentanamide 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-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-3,3-dimethylbutanamide
CID 89411564
N-[3-amino-4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-2,2-dimethylbutanamide
CID 89411567
3-[2-amino-4-(trifluoromethyl)anilino]propanamide
CID 43553390
N-(3-amino-3-oxopropyl)-2,2-dimethylpentanamide
CID 130272228
3-amino-4-[(4-amino-4-oxobutyl)amino]benzoic acid
CID 54888280
2-amino-4-[(3-amino-3-oxopropyl)amino]benzoic acid
CID 104500261
ethyl 3-amino-4-[(5-amino-5-oxopentyl)amino]benzoate
CID 106240798
4-(4-amino-3-propoxyanilino)butanamide
CID 63671493
5-[(2-amino-2-methylpentanoyl)amino]-2-chlorobenzamide;hydrochloride
CID 119711593
3-(3,4-dimethylanilino)propanamide
CID 43131963
N-(3-amino-4-bromophenyl)butanamide
CID 79768270
2,2-dimethyl-N-[4-(3-methylbut-1-ynyl)phenyl]pentanamide
CID 166996981

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-2,2-dimethylpentanamide?
The IUPAC name of N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-2,2-dimethylpentanamide (CID 89411525) is N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-2,2-dimethylpentanamide.
What is the SMILES notation for N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-2,2-dimethylpentanamide?
The canonical SMILES for N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-2,2-dimethylpentanamide is CCCC(C)(C)C(=O)Nc1ccc(NCCC(N)=O)c(N)c1.
What is the InChIKey of N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-2,2-dimethylpentanamide?
The InChIKey is BWCDVOGYJSVZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-4-8-16(2,3)15(22)20-11-5-6-13(12(17)10-11)19-9-7-14(18)21/h5-6,10,19H,4,7-9,17H2,1-3H3,(H2,18,21)(H,20,22).
What are the key properties of N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-2,2-dimethylpentanamide?
N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-2,2-dimethylpentanamide has a molecular weight of 306.41 g/mol, XLogP of 2.32, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4-[(3-amino-3-oxopropyl)amino]phenyl]-2,2-dimethylpentanamide is sourced from PubChem (CID 89411525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).