3-amino-N-methyl-4-(1-phenylpropan-2-ylamino)benzamide

C17H21N3O — CID 82991950

IUPAC3-amino-N-methyl-4-(1-phenylpropan-2-ylamino)benzamide
SMILESCNC(=O)c1ccc(NC(C)Cc2ccccc2)c(N)c1
InChIInChI=1S/C17H21N3O/c1-12(10-13-6-4-3-5-7-13)20-16-9-8-14(11-15(16)18)17(21)19-2/h3-9,11-12,20H,10,18H2,1-2H3,(H,19,21)
InChIKeyNJGWPCSTUJOCAM-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.67
Rot. Bonds5

About 3-amino-N-methyl-4-(1-phenylpropan-2-ylamino)benzamide

3-amino-N-methyl-4-(1-phenylpropan-2-ylamino)benzamide (PubChem CID 82991950) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-amino-N-methyl-4-(1-phenylpropan-2-ylamino)benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-(1-phenylpropan-2-ylamino)benzamide
PubChem CID82991950
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-amino-N-methyl-4-(1-phenylpropan-2-ylamino)benzamide
SMILESCNC(=O)c1ccc(NC(C)Cc2ccccc2)c(N)c1
InChIInChI=1S/C17H21N3O/c1-12(10-13-6-4-3-5-7-13)20-16-9-8-14(11-15(16)18)17(21)19-2/h3-9,11-12,20H,10,18H2,1-2H3,(H,19,21)
InChIKeyNJGWPCSTUJOCAM-UHFFFAOYSA-N
XLogP2.67
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-methyl-4-(1-phenylpropan-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-amino-N-ethyl-4-[[(2R)-4-phenylbutan-2-yl]amino]benzamide
CID 100636946
3-amino-N-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
CID 82989269
3-amino-4-(4-phenylbutan-2-ylamino)-N-propylbenzamide
CID 133167175
3-amino-N-(2-methoxyethyl)-4-(4-phenylbutan-2-ylamino)benzamide
CID 133167178
3-amino-4-[1-(furan-2-yl)ethylamino]-N-methylbenzamide
CID 82989046
3-amino-N-methyl-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide
CID 82988580
2-[[3-amino-4-(4-methylpentan-2-ylamino)benzoyl]amino]-4-methylpentanoic acid
CID 90079474
3-amino-4-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
CID 61471368
ethyl 3-amino-4-(4-phenylbutan-2-ylamino)benzoate
CID 133240212
3-amino-4-[1-(4-chlorophenyl)ethylamino]-N-methylbenzamide
CID 82991478
3-amino-4-[[(1S)-1-phenylethyl]amino]-N-propylbenzamide
CID 100621942
3-amino-N-methyl-4-(1-thiophen-2-ylpropylamino)benzamide
CID 82988987

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-(1-phenylpropan-2-ylamino)benzamide?
The IUPAC name of 3-amino-N-methyl-4-(1-phenylpropan-2-ylamino)benzamide (CID 82991950) is 3-amino-N-methyl-4-(1-phenylpropan-2-ylamino)benzamide.
What is the SMILES notation for 3-amino-N-methyl-4-(1-phenylpropan-2-ylamino)benzamide?
The canonical SMILES for 3-amino-N-methyl-4-(1-phenylpropan-2-ylamino)benzamide is CNC(=O)c1ccc(NC(C)Cc2ccccc2)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-(1-phenylpropan-2-ylamino)benzamide?
The InChIKey is NJGWPCSTUJOCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12(10-13-6-4-3-5-7-13)20-16-9-8-14(11-15(16)18)17(21)19-2/h3-9,11-12,20H,10,18H2,1-2H3,(H,19,21).
What are the key properties of 3-amino-N-methyl-4-(1-phenylpropan-2-ylamino)benzamide?
3-amino-N-methyl-4-(1-phenylpropan-2-ylamino)benzamide has a molecular weight of 283.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-(1-phenylpropan-2-ylamino)benzamide is sourced from PubChem (CID 82991950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).