4-amino-2-[(3,4-dimethylcyclohexyl)amino]-N-ethylbenzamide

C17H27N3O — CID 64740693

IUPAC4-amino-2-[(3,4-dimethylcyclohexyl)amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)cc1NC1CCC(C)C(C)C1
InChIInChI=1S/C17H27N3O/c1-4-19-17(21)15-8-6-13(18)10-16(15)20-14-7-5-11(2)12(3)9-14/h6,8,10-12,14,20H,4-5,7,9,18H2,1-3H3,(H,19,21)
InChIKeyFYOCIZXJEKPHGX-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.26
Rot. Bonds4

About 4-amino-2-[(3,4-dimethylcyclohexyl)amino]-N-ethylbenzamide

4-amino-2-[(3,4-dimethylcyclohexyl)amino]-N-ethylbenzamide (PubChem CID 64740693) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-amino-2-[(3,4-dimethylcyclohexyl)amino]-N-ethylbenzamide.

Molecular Properties

Compound Name4-amino-2-[(3,4-dimethylcyclohexyl)amino]-N-ethylbenzamide
PubChem CID64740693
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-amino-2-[(3,4-dimethylcyclohexyl)amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)cc1NC1CCC(C)C(C)C1
InChIInChI=1S/C17H27N3O/c1-4-19-17(21)15-8-6-13(18)10-16(15)20-14-7-5-11(2)12(3)9-14/h6,8,10-12,14,20H,4-5,7,9,18H2,1-3H3,(H,19,21)
InChIKeyFYOCIZXJEKPHGX-UHFFFAOYSA-N
XLogP3.26
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.26
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

4-amino-N-ethyl-2-[(2-methyloxolan-3-yl)amino]benzamide
CID 82725625
4-amino-N-ethyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)benzamide
CID 80714900
4-amino-2-[(3-methylcyclopentyl)amino]benzoic acid
CID 114550813
3-amino-4-[(3,4-dimethylcyclohexyl)amino]benzamide
CID 64738505
4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
CID 64740893
5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzamide
CID 64739491
4-amino-N-ethyl-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide
CID 102955449
4-amino-N-(3,4-dimethylcyclohexyl)benzamide
CID 64738901
1-N-(3,4-dimethylcyclohexyl)-4-iodobenzene-1,2-diamine
CID 66082123
4-amino-N-ethyl-2-[(2-methoxy-2-methylpropyl)amino]benzamide
CID 104758824
4-amino-N-ethyl-2-(2,3,3-trimethylbutylamino)benzamide
CID 83141974
4-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide
CID 106166574

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3,4-dimethylcyclohexyl)amino]-N-ethylbenzamide?
The IUPAC name of 4-amino-2-[(3,4-dimethylcyclohexyl)amino]-N-ethylbenzamide (CID 64740693) is 4-amino-2-[(3,4-dimethylcyclohexyl)amino]-N-ethylbenzamide.
What is the SMILES notation for 4-amino-2-[(3,4-dimethylcyclohexyl)amino]-N-ethylbenzamide?
The canonical SMILES for 4-amino-2-[(3,4-dimethylcyclohexyl)amino]-N-ethylbenzamide is CCNC(=O)c1ccc(N)cc1NC1CCC(C)C(C)C1.
What is the InChIKey of 4-amino-2-[(3,4-dimethylcyclohexyl)amino]-N-ethylbenzamide?
The InChIKey is FYOCIZXJEKPHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-19-17(21)15-8-6-13(18)10-16(15)20-14-7-5-11(2)12(3)9-14/h6,8,10-12,14,20H,4-5,7,9,18H2,1-3H3,(H,19,21).
What are the key properties of 4-amino-2-[(3,4-dimethylcyclohexyl)amino]-N-ethylbenzamide?
4-amino-2-[(3,4-dimethylcyclohexyl)amino]-N-ethylbenzamide has a molecular weight of 289.42 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(3,4-dimethylcyclohexyl)amino]-N-ethylbenzamide is sourced from PubChem (CID 64740693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).