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

C10H15N3O — CID 63355740

IUPAC4-amino-3-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1cc(C(N)=O)ccc1N
InChIInChI=1S/C10H15N3O/c1-6(2)13-9-5-7(10(12)14)3-4-8(9)11/h3-6,13H,11H2,1-2H3,(H2,12,14)
InChIKeyCVYZIPLPPVQMAL-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.19
Rot. Bonds3

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

4-amino-3-(propan-2-ylamino)benzamide (PubChem CID 63355740) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-amino-3-(propan-2-ylamino)benzamide.

Molecular Properties

Compound Name4-amino-3-(propan-2-ylamino)benzamide
PubChem CID63355740
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-amino-3-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1cc(C(N)=O)ccc1N
InChIInChI=1S/C10H15N3O/c1-6(2)13-9-5-7(10(12)14)3-4-8(9)11/h3-6,13H,11H2,1-2H3,(H2,12,14)
InChIKeyCVYZIPLPPVQMAL-UHFFFAOYSA-N
XLogP1.19
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.19
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

4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
CID 63356519
4-methoxy-3-(propan-2-ylamino)benzamide
CID 43735396
4-amino-3-[1-(3-chlorophenyl)ethylamino]benzamide
CID 63356730
4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzamide
CID 63356356
4-amino-3-[(4-hydroxy-1-methoxybutan-2-yl)amino]benzamide
CID 106153852
2-[[(2R)-3-methylbutan-2-yl]amino]benzene-1,4-dicarboxamide
CID 70906211
1-[3-amino-4-(propan-2-ylamino)phenyl]ethanone
CID 82468958
4-fluoro-3-(3-methylbutan-2-ylamino)benzamide
CID 43701145
4-amino-3-(cyclopropylamino)benzamide
CID 63355783
methyl 4-amino-3-(3-methylpentan-2-ylamino)benzoate
CID 82785073
3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzamide
CID 102868551
3-amino-4-(3,3-dimethylbutan-2-ylamino)benzamide
CID 104827416

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(propan-2-ylamino)benzamide?
The IUPAC name of 4-amino-3-(propan-2-ylamino)benzamide (CID 63355740) is 4-amino-3-(propan-2-ylamino)benzamide.
What is the SMILES notation for 4-amino-3-(propan-2-ylamino)benzamide?
The canonical SMILES for 4-amino-3-(propan-2-ylamino)benzamide is CC(C)Nc1cc(C(N)=O)ccc1N.
What is the InChIKey of 4-amino-3-(propan-2-ylamino)benzamide?
The InChIKey is CVYZIPLPPVQMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-6(2)13-9-5-7(10(12)14)3-4-8(9)11/h3-6,13H,11H2,1-2H3,(H2,12,14).
What are the key properties of 4-amino-3-(propan-2-ylamino)benzamide?
4-amino-3-(propan-2-ylamino)benzamide has a molecular weight of 193.25 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(propan-2-ylamino)benzamide is sourced from PubChem (CID 63355740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).