3-amino-N-[3-(dimethylamino)cyclohexyl]benzamide

C15H23N3O — CID 119889091

IUPAC3-amino-N-[3-(dimethylamino)cyclohexyl]benzamide
SMILESCN(C)C1CCCC(NC(=O)c2cccc(N)c2)C1
InChIInChI=1S/C15H23N3O/c1-18(2)14-8-4-7-13(10-14)17-15(19)11-5-3-6-12(16)9-11/h3,5-6,9,13-14H,4,7-8,10,16H2,1-2H3,(H,17,19)
InChIKeyKOCYPFCXKWZHQE-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.87
Rot. Bonds3

About 3-amino-N-[3-(dimethylamino)cyclohexyl]benzamide

3-amino-N-[3-(dimethylamino)cyclohexyl]benzamide (PubChem CID 119889091) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-amino-N-[3-(dimethylamino)cyclohexyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[3-(dimethylamino)cyclohexyl]benzamide
PubChem CID119889091
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-amino-N-[3-(dimethylamino)cyclohexyl]benzamide
SMILESCN(C)C1CCCC(NC(=O)c2cccc(N)c2)C1
InChIInChI=1S/C15H23N3O/c1-18(2)14-8-4-7-13(10-14)17-15(19)11-5-3-6-12(16)9-11/h3,5-6,9,13-14H,4,7-8,10,16H2,1-2H3,(H,17,19)
InChIKeyKOCYPFCXKWZHQE-UHFFFAOYSA-N
XLogP1.87
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.87
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

3-[(3-aminobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043138
N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-3,5-dimethylbenzamide
CID 97068063
2-amino-N-[3-(dimethylamino)cyclohexyl]benzamide;dihydrochloride
CID 119947270
3-amino-N-(3,5-dimethylcyclohexyl)benzamide
CID 64733610
N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-3-[2-(dimethylamino)ethyl]benzamide
CID 166268949
N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 97056408
3-amino-N-(2-methylcyclopropyl)benzamide
CID 62399086
3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 62304579
6-bromo-N-[3-(dimethylamino)cyclohexyl]pyridine-2-carboxamide
CID 162527967
3-amino-N-[4-(cyclohexylcarbamoyl)phenyl]benzamide;hydrochloride
CID 119747179
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119851139
3-amino-N-(2-methoxycyclopentyl)benzamide
CID 62086745

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(dimethylamino)cyclohexyl]benzamide?
The IUPAC name of 3-amino-N-[3-(dimethylamino)cyclohexyl]benzamide (CID 119889091) is 3-amino-N-[3-(dimethylamino)cyclohexyl]benzamide.
What is the SMILES notation for 3-amino-N-[3-(dimethylamino)cyclohexyl]benzamide?
The canonical SMILES for 3-amino-N-[3-(dimethylamino)cyclohexyl]benzamide is CN(C)C1CCCC(NC(=O)c2cccc(N)c2)C1.
What is the InChIKey of 3-amino-N-[3-(dimethylamino)cyclohexyl]benzamide?
The InChIKey is KOCYPFCXKWZHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(2)14-8-4-7-13(10-14)17-15(19)11-5-3-6-12(16)9-11/h3,5-6,9,13-14H,4,7-8,10,16H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-N-[3-(dimethylamino)cyclohexyl]benzamide?
3-amino-N-[3-(dimethylamino)cyclohexyl]benzamide has a molecular weight of 261.37 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(dimethylamino)cyclohexyl]benzamide is sourced from PubChem (CID 119889091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).