3-amino-4-[(3,4-dimethylcyclohexyl)amino]benzamide

C15H23N3O — CID 64738505

IUPAC3-amino-4-[(3,4-dimethylcyclohexyl)amino]benzamide
SMILESCC1CCC(Nc2ccc(C(N)=O)cc2N)CC1C
InChIInChI=1S/C15H23N3O/c1-9-3-5-12(7-10(9)2)18-14-6-4-11(15(17)19)8-13(14)16/h4,6,8-10,12,18H,3,5,7,16H2,1-2H3,(H2,17,19)
InChIKeyQLRSXJMZQVYXOE-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.60
Rot. Bonds3

About 3-amino-4-[(3,4-dimethylcyclohexyl)amino]benzamide

3-amino-4-[(3,4-dimethylcyclohexyl)amino]benzamide (PubChem CID 64738505) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-amino-4-[(3,4-dimethylcyclohexyl)amino]benzamide.

Molecular Properties

Compound Name3-amino-4-[(3,4-dimethylcyclohexyl)amino]benzamide
PubChem CID64738505
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-amino-4-[(3,4-dimethylcyclohexyl)amino]benzamide
SMILESCC1CCC(Nc2ccc(C(N)=O)cc2N)CC1C
InChIInChI=1S/C15H23N3O/c1-9-3-5-12(7-10(9)2)18-14-6-4-11(15(17)19)8-13(14)16/h4,6,8-10,12,18H,3,5,7,16H2,1-2H3,(H2,17,19)
InChIKeyQLRSXJMZQVYXOE-UHFFFAOYSA-N
XLogP2.60
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(3,4-dimethylcyclohexyl)amino]benzamide?
The IUPAC name of 3-amino-4-[(3,4-dimethylcyclohexyl)amino]benzamide (CID 64738505) is 3-amino-4-[(3,4-dimethylcyclohexyl)amino]benzamide.
What is the SMILES notation for 3-amino-4-[(3,4-dimethylcyclohexyl)amino]benzamide?
The canonical SMILES for 3-amino-4-[(3,4-dimethylcyclohexyl)amino]benzamide is CC1CCC(Nc2ccc(C(N)=O)cc2N)CC1C.
What is the InChIKey of 3-amino-4-[(3,4-dimethylcyclohexyl)amino]benzamide?
The InChIKey is QLRSXJMZQVYXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-9-3-5-12(7-10(9)2)18-14-6-4-11(15(17)19)8-13(14)16/h4,6,8-10,12,18H,3,5,7,16H2,1-2H3,(H2,17,19).
What are the key properties of 3-amino-4-[(3,4-dimethylcyclohexyl)amino]benzamide?
3-amino-4-[(3,4-dimethylcyclohexyl)amino]benzamide has a molecular weight of 261.37 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(3,4-dimethylcyclohexyl)amino]benzamide is sourced from PubChem (CID 64738505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).