5-amino-2-[(4-ethylcyclohexyl)amino]benzamide

C15H23N3O — CID 61468335

IUPAC5-amino-2-[(4-ethylcyclohexyl)amino]benzamide
SMILESCCC1CCC(Nc2ccc(N)cc2C(N)=O)CC1
InChIInChI=1S/C15H23N3O/c1-2-10-3-6-12(7-4-10)18-14-8-5-11(16)9-13(14)15(17)19/h5,8-10,12,18H,2-4,6-7,16H2,1H3,(H2,17,19)
InChIKeyUVKDHHYPLKMPAX-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.75
Rot. Bonds4

About 5-amino-2-[(4-ethylcyclohexyl)amino]benzamide

5-amino-2-[(4-ethylcyclohexyl)amino]benzamide (PubChem CID 61468335) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-amino-2-[(4-ethylcyclohexyl)amino]benzamide.

Molecular Properties

Compound Name5-amino-2-[(4-ethylcyclohexyl)amino]benzamide
PubChem CID61468335
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name5-amino-2-[(4-ethylcyclohexyl)amino]benzamide
SMILESCCC1CCC(Nc2ccc(N)cc2C(N)=O)CC1
InChIInChI=1S/C15H23N3O/c1-2-10-3-6-12(7-4-10)18-14-8-5-11(16)9-13(14)15(17)19/h5,8-10,12,18H,2-4,6-7,16H2,1H3,(H2,17,19)
InChIKeyUVKDHHYPLKMPAX-UHFFFAOYSA-N
XLogP2.75
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.75
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

5-amino-2-[(3-methylcyclopentyl)amino]benzamide
CID 114550804
1-N-(4-ethylcyclohexyl)-2-methylbenzene-1,4-diamine
CID 54955528
5-amino-2-(cyclopropylamino)-N-methylbenzamide
CID 100639685
ethyl 5-amino-2-(cyclobutylamino)benzoate
CID 62413866
5-amino-N-(4-ethylcyclohexyl)-2-methylbenzamide
CID 61466325
4-amino-3-[(4-ethylcyclohexyl)amino]-N-methylbenzamide
CID 63357473
methyl 3-amino-4-[(4-ethylcyclohexyl)amino]benzoate
CID 61468296
2-amino-3-[(4-propylcyclohexyl)amino]benzamide
CID 115545356
5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]benzamide
CID 114122050
5-amino-2-(cyclooctylamino)-N-methylbenzamide
CID 100655350
2,4-difluoro-5-[(4-propylcyclohexyl)amino]benzamide
CID 43673699
4-amino-2-(4-ethylcyclohexyl)oxybenzoic acid
CID 106954895

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(4-ethylcyclohexyl)amino]benzamide?
The IUPAC name of 5-amino-2-[(4-ethylcyclohexyl)amino]benzamide (CID 61468335) is 5-amino-2-[(4-ethylcyclohexyl)amino]benzamide.
What is the SMILES notation for 5-amino-2-[(4-ethylcyclohexyl)amino]benzamide?
The canonical SMILES for 5-amino-2-[(4-ethylcyclohexyl)amino]benzamide is CCC1CCC(Nc2ccc(N)cc2C(N)=O)CC1.
What is the InChIKey of 5-amino-2-[(4-ethylcyclohexyl)amino]benzamide?
The InChIKey is UVKDHHYPLKMPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-10-3-6-12(7-4-10)18-14-8-5-11(16)9-13(14)15(17)19/h5,8-10,12,18H,2-4,6-7,16H2,1H3,(H2,17,19).
What are the key properties of 5-amino-2-[(4-ethylcyclohexyl)amino]benzamide?
5-amino-2-[(4-ethylcyclohexyl)amino]benzamide has a molecular weight of 261.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(4-ethylcyclohexyl)amino]benzamide is sourced from PubChem (CID 61468335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).