4-amino-N-cyclohexylbenzamide

C13H18N2O — CID 679480

IUPAC4-amino-N-cyclohexylbenzamide
SMILESNc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C13H18N2O/c14-11-8-6-10(7-9-11)13(16)15-12-4-2-1-3-5-12/h6-9,12H,1-5,14H2,(H,15,16)
InChIKeyKAESCVXWIWIQKP-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.33
Rot. Bonds2

About 4-amino-N-cyclohexylbenzamide

4-amino-N-cyclohexylbenzamide (PubChem CID 679480) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-amino-N-cyclohexylbenzamide.

Molecular Properties

Compound Name4-amino-N-cyclohexylbenzamide
PubChem CID679480
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-amino-N-cyclohexylbenzamide
SMILESNc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C13H18N2O/c14-11-8-6-10(7-9-11)13(16)15-12-4-2-1-3-5-12/h6-9,12H,1-5,14H2,(H,15,16)
InChIKeyKAESCVXWIWIQKP-UHFFFAOYSA-N
XLogP2.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclohexylbenzamide?
The IUPAC name of 4-amino-N-cyclohexylbenzamide (CID 679480) is 4-amino-N-cyclohexylbenzamide.
What is the SMILES notation for 4-amino-N-cyclohexylbenzamide?
The canonical SMILES for 4-amino-N-cyclohexylbenzamide is Nc1ccc(C(=O)NC2CCCCC2)cc1.
What is the InChIKey of 4-amino-N-cyclohexylbenzamide?
The InChIKey is KAESCVXWIWIQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-11-8-6-10(7-9-11)13(16)15-12-4-2-1-3-5-12/h6-9,12H,1-5,14H2,(H,15,16).
What are the key properties of 4-amino-N-cyclohexylbenzamide?
4-amino-N-cyclohexylbenzamide has a molecular weight of 218.30 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclohexylbenzamide is sourced from PubChem (CID 679480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).