3-amino-N-propan-2-yl-4-(propan-2-ylamino)benzamide

C13H21N3O — CID 100619240

IUPAC3-amino-N-propan-2-yl-4-(propan-2-ylamino)benzamide
SMILESCC(C)NC(=O)c1ccc(NC(C)C)c(N)c1
InChIInChI=1S/C13H21N3O/c1-8(2)15-12-6-5-10(7-11(12)14)13(17)16-9(3)4/h5-9,15H,14H2,1-4H3,(H,16,17)
InChIKeyLBUYGZQLCFOMHS-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.23
Rot. Bonds4

About 3-amino-N-propan-2-yl-4-(propan-2-ylamino)benzamide

3-amino-N-propan-2-yl-4-(propan-2-ylamino)benzamide (PubChem CID 100619240) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-amino-N-propan-2-yl-4-(propan-2-ylamino)benzamide.

Molecular Properties

Compound Name3-amino-N-propan-2-yl-4-(propan-2-ylamino)benzamide
PubChem CID100619240
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-amino-N-propan-2-yl-4-(propan-2-ylamino)benzamide
SMILESCC(C)NC(=O)c1ccc(NC(C)C)c(N)c1
InChIInChI=1S/C13H21N3O/c1-8(2)15-12-6-5-10(7-11(12)14)13(17)16-9(3)4/h5-9,15H,14H2,1-4H3,(H,16,17)
InChIKeyLBUYGZQLCFOMHS-UHFFFAOYSA-N
XLogP2.23
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-propan-2-yl-4-(propan-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

1-[3-amino-4-(propan-2-ylamino)phenyl]ethanone
CID 82468958
3-amino-4-(2,3-dichloroanilino)-N-propan-2-ylbenzamide
CID 100628080
5-amino-N-propan-2-yl-2-(propan-2-ylamino)benzamide
CID 100638369
3-amino-N-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
CID 82989269
2-[[3-amino-4-(4-methylpentan-2-ylamino)benzoyl]amino]-4-methylpentanoic acid
CID 90079474
3-amino-4-(4-butylanilino)-N-propan-2-ylbenzamide
CID 100635916
3-amino-4-[[(2R)-butan-2-yl]amino]-N-(2-methoxyethyl)benzamide
CID 100619898
3-amino-4-(2-methylpropoxy)-N-propan-2-ylbenzamide
CID 82070404
3-amino-N-ethyl-4-[[(2S)-pentan-2-yl]amino]benzamide
CID 99919199
4-amino-N-propan-2-ylbenzamide;ethane
CID 144913195
3-amino-4-(1-cyclohexylethylamino)-N-methylbenzamide
CID 82989134
4-amino-3-(propan-2-ylamino)benzamide
CID 63355740

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-propan-2-yl-4-(propan-2-ylamino)benzamide?
The IUPAC name of 3-amino-N-propan-2-yl-4-(propan-2-ylamino)benzamide (CID 100619240) is 3-amino-N-propan-2-yl-4-(propan-2-ylamino)benzamide.
What is the SMILES notation for 3-amino-N-propan-2-yl-4-(propan-2-ylamino)benzamide?
The canonical SMILES for 3-amino-N-propan-2-yl-4-(propan-2-ylamino)benzamide is CC(C)NC(=O)c1ccc(NC(C)C)c(N)c1.
What is the InChIKey of 3-amino-N-propan-2-yl-4-(propan-2-ylamino)benzamide?
The InChIKey is LBUYGZQLCFOMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-8(2)15-12-6-5-10(7-11(12)14)13(17)16-9(3)4/h5-9,15H,14H2,1-4H3,(H,16,17).
What are the key properties of 3-amino-N-propan-2-yl-4-(propan-2-ylamino)benzamide?
3-amino-N-propan-2-yl-4-(propan-2-ylamino)benzamide has a molecular weight of 235.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-propan-2-yl-4-(propan-2-ylamino)benzamide is sourced from PubChem (CID 100619240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).