4-amino-3-[benzyl(cyclopropyl)amino]benzamide

C17H19N3O — CID 63356232

IUPAC4-amino-3-[benzyl(cyclopropyl)amino]benzamide
SMILESNC(=O)c1ccc(N)c(N(Cc2ccccc2)C2CC2)c1
InChIInChI=1S/C17H19N3O/c18-15-9-6-13(17(19)21)10-16(15)20(14-7-8-14)11-12-4-2-1-3-5-12/h1-6,9-10,14H,7-8,11,18H2,(H2,19,21)
InChIKeyRTFWNDRMISEKFC-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.54
Rot. Bonds5

About 4-amino-3-[benzyl(cyclopropyl)amino]benzamide

4-amino-3-[benzyl(cyclopropyl)amino]benzamide (PubChem CID 63356232) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-amino-3-[benzyl(cyclopropyl)amino]benzamide.

Molecular Properties

Compound Name4-amino-3-[benzyl(cyclopropyl)amino]benzamide
PubChem CID63356232
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-amino-3-[benzyl(cyclopropyl)amino]benzamide
SMILESNC(=O)c1ccc(N)c(N(Cc2ccccc2)C2CC2)c1
InChIInChI=1S/C17H19N3O/c18-15-9-6-13(17(19)21)10-16(15)20(14-7-8-14)11-12-4-2-1-3-5-12/h1-6,9-10,14H,7-8,11,18H2,(H2,19,21)
InChIKeyRTFWNDRMISEKFC-UHFFFAOYSA-N
XLogP2.54
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[cyclopropyl(thiophen-2-ylmethyl)amino]benzamide
CID 63356225
4-amino-3-[cyclopropyl(propyl)amino]benzamide
CID 55188930
4-[benzyl(piperidin-4-yl)amino]benzamide
CID 174618733
1-N-benzyl-4-bromo-1-N-cyclopropyl-5-fluorobenzene-1,2-diamine
CID 66112076
1-N-benzyl-1-N-cyclopropyl-2-iodobenzene-1,4-diamine
CID 66094976
3-amino-N-benzyl-N-cyclopropylbenzamide
CID 43574369
4-amino-3-[cyclopropyl(2-hydroxyethyl)amino]-N,N-dimethylbenzamide
CID 63360938
2-N-benzyl-2-N-hydroxynaphthalene-2,6-dicarboxamide
CID 25256224
4-amino-3-[(4-fluorophenyl)methyl-methylamino]benzamide
CID 63356230
(7R)-7-[benzyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 15703621
3-amino-4-[cyclopropyl(methyl)amino]benzamide
CID 43448462
methyl 4-amino-3-[cyclopropyl(2-methoxyethyl)amino]benzoate
CID 82785230

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[benzyl(cyclopropyl)amino]benzamide?
The IUPAC name of 4-amino-3-[benzyl(cyclopropyl)amino]benzamide (CID 63356232) is 4-amino-3-[benzyl(cyclopropyl)amino]benzamide.
What is the SMILES notation for 4-amino-3-[benzyl(cyclopropyl)amino]benzamide?
The canonical SMILES for 4-amino-3-[benzyl(cyclopropyl)amino]benzamide is NC(=O)c1ccc(N)c(N(Cc2ccccc2)C2CC2)c1.
What is the InChIKey of 4-amino-3-[benzyl(cyclopropyl)amino]benzamide?
The InChIKey is RTFWNDRMISEKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-15-9-6-13(17(19)21)10-16(15)20(14-7-8-14)11-12-4-2-1-3-5-12/h1-6,9-10,14H,7-8,11,18H2,(H2,19,21).
What are the key properties of 4-amino-3-[benzyl(cyclopropyl)amino]benzamide?
4-amino-3-[benzyl(cyclopropyl)amino]benzamide has a molecular weight of 281.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[benzyl(cyclopropyl)amino]benzamide is sourced from PubChem (CID 63356232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).