2,4-diamino-N-[1-(2-methylphenyl)propan-2-yl]benzamide

C17H21N3O — CID 61104126

IUPAC2,4-diamino-N-[1-(2-methylphenyl)propan-2-yl]benzamide
SMILESCc1ccccc1CC(C)NC(=O)c1ccc(N)cc1N
InChIInChI=1S/C17H21N3O/c1-11-5-3-4-6-13(11)9-12(2)20-17(21)15-8-7-14(18)10-16(15)19/h3-8,10,12H,9,18-19H2,1-2H3,(H,20,21)
InChIKeyMIGNWPFTAHWYHA-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.52
Rot. Bonds4

About 2,4-diamino-N-[1-(2-methylphenyl)propan-2-yl]benzamide

2,4-diamino-N-[1-(2-methylphenyl)propan-2-yl]benzamide (PubChem CID 61104126) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2,4-diamino-N-[1-(2-methylphenyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-diamino-N-[1-(2-methylphenyl)propan-2-yl]benzamide
PubChem CID61104126
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2,4-diamino-N-[1-(2-methylphenyl)propan-2-yl]benzamide
SMILESCc1ccccc1CC(C)NC(=O)c1ccc(N)cc1N
InChIInChI=1S/C17H21N3O/c1-11-5-3-4-6-13(11)9-12(2)20-17(21)15-8-7-14(18)10-16(15)19/h3-8,10,12H,9,18-19H2,1-2H3,(H,20,21)
InChIKeyMIGNWPFTAHWYHA-UHFFFAOYSA-N
XLogP2.52
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 60933669
2-amino-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 62060793
3-amino-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 61104122
5-amino-2-methyl-N-(1-naphthalen-1-ylpropan-2-yl)benzamide
CID 68562260
2,4-diamino-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 61471843
N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 541803
4-amino-N-[1-(2-methylphenyl)propan-2-yl]-1H-pyrazole-5-carboxamide
CID 55178986
2,4-diamino-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 113493375
2-(methylamino)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 60927229
4-amino-1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrazole-5-carboxamide
CID 65355631
4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 47296505
(2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]butanamide;hydrochloride
CID 119297318

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-[1-(2-methylphenyl)propan-2-yl]benzamide?
The IUPAC name of 2,4-diamino-N-[1-(2-methylphenyl)propan-2-yl]benzamide (CID 61104126) is 2,4-diamino-N-[1-(2-methylphenyl)propan-2-yl]benzamide.
What is the SMILES notation for 2,4-diamino-N-[1-(2-methylphenyl)propan-2-yl]benzamide?
The canonical SMILES for 2,4-diamino-N-[1-(2-methylphenyl)propan-2-yl]benzamide is Cc1ccccc1CC(C)NC(=O)c1ccc(N)cc1N.
What is the InChIKey of 2,4-diamino-N-[1-(2-methylphenyl)propan-2-yl]benzamide?
The InChIKey is MIGNWPFTAHWYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-5-3-4-6-13(11)9-12(2)20-17(21)15-8-7-14(18)10-16(15)19/h3-8,10,12H,9,18-19H2,1-2H3,(H,20,21).
What are the key properties of 2,4-diamino-N-[1-(2-methylphenyl)propan-2-yl]benzamide?
2,4-diamino-N-[1-(2-methylphenyl)propan-2-yl]benzamide has a molecular weight of 283.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-[1-(2-methylphenyl)propan-2-yl]benzamide is sourced from PubChem (CID 61104126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).