2-amino-3-(2,4,4-trimethylpentan-2-ylamino)benzamide

C15H25N3O — CID 115545611

IUPAC2-amino-3-(2,4,4-trimethylpentan-2-ylamino)benzamide
SMILESCC(C)(C)CC(C)(C)Nc1cccc(C(N)=O)c1N
InChIInChI=1S/C15H25N3O/c1-14(2,3)9-15(4,5)18-11-8-6-7-10(12(11)16)13(17)19/h6-8,18H,9,16H2,1-5H3,(H2,17,19)
InChIKeyDBTBLFDFUWDDPL-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.99
Rot. Bonds4

About 2-amino-3-(2,4,4-trimethylpentan-2-ylamino)benzamide

2-amino-3-(2,4,4-trimethylpentan-2-ylamino)benzamide (PubChem CID 115545611) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-amino-3-(2,4,4-trimethylpentan-2-ylamino)benzamide.

Molecular Properties

Compound Name2-amino-3-(2,4,4-trimethylpentan-2-ylamino)benzamide
PubChem CID115545611
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-amino-3-(2,4,4-trimethylpentan-2-ylamino)benzamide
SMILESCC(C)(C)CC(C)(C)Nc1cccc(C(N)=O)c1N
InChIInChI=1S/C15H25N3O/c1-14(2,3)9-15(4,5)18-11-8-6-7-10(12(11)16)13(17)19/h6-8,18H,9,16H2,1-5H3,(H2,17,19)
InChIKeyDBTBLFDFUWDDPL-UHFFFAOYSA-N
XLogP2.99
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-3-(2,4,4-trimethylpentan-2-ylamino)benzamide 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

3-methylsulfonyl-1-N-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diamine
CID 82002582
2-amino-3-(2-methylsulfonylethylamino)benzamide
CID 115544080
2-amino-3-[(5-methylfuran-2-yl)methylamino]benzamide
CID 113332915
2-amino-3-(2-cyclopropylethylamino)benzamide
CID 115546423
2-amino-3-[(4-methoxy-2,2-dimethylbutyl)amino]benzamide
CID 114126621
2-amino-3-(2-ethylanilino)benzamide
CID 113332482
2-amino-3-(3-methylsulfonylpropylamino)benzamide
CID 115545630
2-amino-3-(2-methylanilino)benzamide
CID 113332516
2-amino-3-(3,3-dimethylbutoxy)benzamide
CID 115547344
2-amino-3-(pyridin-4-ylmethylamino)benzamide
CID 115544647
2-amino-3-(4-ethylanilino)benzamide
CID 113332480
2-amino-3-(cyclobutylmethylamino)benzamide
CID 115544780

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,4,4-trimethylpentan-2-ylamino)benzamide?
The IUPAC name of 2-amino-3-(2,4,4-trimethylpentan-2-ylamino)benzamide (CID 115545611) is 2-amino-3-(2,4,4-trimethylpentan-2-ylamino)benzamide.
What is the SMILES notation for 2-amino-3-(2,4,4-trimethylpentan-2-ylamino)benzamide?
The canonical SMILES for 2-amino-3-(2,4,4-trimethylpentan-2-ylamino)benzamide is CC(C)(C)CC(C)(C)Nc1cccc(C(N)=O)c1N.
What is the InChIKey of 2-amino-3-(2,4,4-trimethylpentan-2-ylamino)benzamide?
The InChIKey is DBTBLFDFUWDDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-14(2,3)9-15(4,5)18-11-8-6-7-10(12(11)16)13(17)19/h6-8,18H,9,16H2,1-5H3,(H2,17,19).
What are the key properties of 2-amino-3-(2,4,4-trimethylpentan-2-ylamino)benzamide?
2-amino-3-(2,4,4-trimethylpentan-2-ylamino)benzamide has a molecular weight of 263.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,4,4-trimethylpentan-2-ylamino)benzamide is sourced from PubChem (CID 115545611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).