3-amino-4-[[(1R)-1-phenylethyl]amino]benzamide

C15H17N3O — CID 93050367

IUPAC3-amino-4-[[(1R)-1-phenylethyl]amino]benzamide
SMILESC[C@@H](Nc1ccc(C(N)=O)cc1N)c1ccccc1
InChIInChI=1S/C15H17N3O/c1-10(11-5-3-2-4-6-11)18-14-8-7-12(15(17)19)9-13(14)16/h2-10,18H,16H2,1H3,(H2,17,19)/t10-/m1/s1
InChIKeyYJJPYEJHDJQJGV-SNVBAGLBSA-N
MW255.32 g/mol
LogP2.54
Rot. Bonds4

About 3-amino-4-[[(1R)-1-phenylethyl]amino]benzamide

3-amino-4-[[(1R)-1-phenylethyl]amino]benzamide (PubChem CID 93050367) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-amino-4-[[(1R)-1-phenylethyl]amino]benzamide.

Molecular Properties

Compound Name3-amino-4-[[(1R)-1-phenylethyl]amino]benzamide
PubChem CID93050367
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-amino-4-[[(1R)-1-phenylethyl]amino]benzamide
SMILESC[C@@H](Nc1ccc(C(N)=O)cc1N)c1ccccc1
InChIInChI=1S/C15H17N3O/c1-10(11-5-3-2-4-6-11)18-14-8-7-12(15(17)19)9-13(14)16/h2-10,18H,16H2,1H3,(H2,17,19)/t10-/m1/s1
InChIKeyYJJPYEJHDJQJGV-SNVBAGLBSA-N
XLogP2.54
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.54
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

3-amino-4-(1-phenylethylamino)benzamide
CID 43448333
3-amino-4-[1-(1H-pyrazol-4-yl)ethylamino]benzamide
CID 106217149
3-amino-4-[[(1S)-1-phenylethyl]amino]-N-propylbenzamide
CID 100621942
3-amino-4-(3,3-dimethylbutan-2-ylamino)benzamide
CID 104827416
3-amino-4-(1-phenylethylamino)benzaldehyde
CID 166842127
3-amino-4-[1-(4-chlorophenyl)ethylamino]-N-methylbenzamide
CID 82991478
4-amino-3-[1-(3-chlorophenyl)ethylamino]benzamide
CID 63356730
2-amino-3-(1-phenylethylamino)benzamide
CID 113332401
3-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzamide
CID 82988367
3-chloro-4-(1-phenylethylamino)benzoic acid
CID 63088121
3-amino-4-(3-methylbutylamino)benzamide
CID 43448346
4-[[(1R)-1-phenylethyl]amino]-3-sulfamoylbenzoic acid
CID 99977103

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[(1R)-1-phenylethyl]amino]benzamide?
The IUPAC name of 3-amino-4-[[(1R)-1-phenylethyl]amino]benzamide (CID 93050367) is 3-amino-4-[[(1R)-1-phenylethyl]amino]benzamide.
What is the SMILES notation for 3-amino-4-[[(1R)-1-phenylethyl]amino]benzamide?
The canonical SMILES for 3-amino-4-[[(1R)-1-phenylethyl]amino]benzamide is C[C@@H](Nc1ccc(C(N)=O)cc1N)c1ccccc1.
What is the InChIKey of 3-amino-4-[[(1R)-1-phenylethyl]amino]benzamide?
The InChIKey is YJJPYEJHDJQJGV-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10(11-5-3-2-4-6-11)18-14-8-7-12(15(17)19)9-13(14)16/h2-10,18H,16H2,1H3,(H2,17,19)/t10-/m1/s1.
What are the key properties of 3-amino-4-[[(1R)-1-phenylethyl]amino]benzamide?
3-amino-4-[[(1R)-1-phenylethyl]amino]benzamide has a molecular weight of 255.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[(1R)-1-phenylethyl]amino]benzamide is sourced from PubChem (CID 93050367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).