4-amino-3-[(4-ethylcyclohexyl)amino]-N-methylbenzamide

C16H25N3O — CID 63357473

IUPAC4-amino-3-[(4-ethylcyclohexyl)amino]-N-methylbenzamide
SMILESCCC1CCC(Nc2cc(C(=O)NC)ccc2N)CC1
InChIInChI=1S/C16H25N3O/c1-3-11-4-7-13(8-5-11)19-15-10-12(16(20)18-2)6-9-14(15)17/h6,9-11,13,19H,3-5,7-8,17H2,1-2H3,(H,18,20)
InChIKeyCYSNORABXYDPQJ-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.01
Rot. Bonds4

About 4-amino-3-[(4-ethylcyclohexyl)amino]-N-methylbenzamide

4-amino-3-[(4-ethylcyclohexyl)amino]-N-methylbenzamide (PubChem CID 63357473) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-amino-3-[(4-ethylcyclohexyl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-[(4-ethylcyclohexyl)amino]-N-methylbenzamide
PubChem CID63357473
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-amino-3-[(4-ethylcyclohexyl)amino]-N-methylbenzamide
SMILESCCC1CCC(Nc2cc(C(=O)NC)ccc2N)CC1
InChIInChI=1S/C16H25N3O/c1-3-11-4-7-13(8-5-11)19-15-10-12(16(20)18-2)6-9-14(15)17/h6,9-11,13,19H,3-5,7-8,17H2,1-2H3,(H,18,20)
InChIKeyCYSNORABXYDPQJ-UHFFFAOYSA-N
XLogP3.01
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.01
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-methyl-3-[(1-methylpiperidin-4-yl)amino]benzamide
CID 63357031
4-amino-3-(cyclopentylamino)-N-ethylbenzamide
CID 63360547
4-bromo-2-N-(4-ethylcyclohexyl)benzene-1,2-diamine
CID 65343384
3-[(4-aminocyclohexyl)amino]-N,4-dimethylbenzamide
CID 79730916
4-amino-3-(cyclopropylamino)benzamide
CID 63355783
methyl 3-amino-4-[(4-ethylcyclohexyl)amino]benzoate
CID 61468296
4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide
CID 63357593
4-amino-N-(4-ethylcyclohexyl)-3-hydroxybenzamide
CID 107074880
5-amino-2-[(4-ethylcyclohexyl)amino]benzamide
CID 61468335
3-amino-4-(2-cyclopropylethylamino)-N-methylbenzamide
CID 83000366
4-amino-3-[(4-ethylcyclohexyl)methylamino]benzoic acid
CID 82784863
5-amino-2-(cyclopropylamino)-N-methylbenzamide
CID 100639685

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(4-ethylcyclohexyl)amino]-N-methylbenzamide?
The IUPAC name of 4-amino-3-[(4-ethylcyclohexyl)amino]-N-methylbenzamide (CID 63357473) is 4-amino-3-[(4-ethylcyclohexyl)amino]-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-[(4-ethylcyclohexyl)amino]-N-methylbenzamide?
The canonical SMILES for 4-amino-3-[(4-ethylcyclohexyl)amino]-N-methylbenzamide is CCC1CCC(Nc2cc(C(=O)NC)ccc2N)CC1.
What is the InChIKey of 4-amino-3-[(4-ethylcyclohexyl)amino]-N-methylbenzamide?
The InChIKey is CYSNORABXYDPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-11-4-7-13(8-5-11)19-15-10-12(16(20)18-2)6-9-14(15)17/h6,9-11,13,19H,3-5,7-8,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-3-[(4-ethylcyclohexyl)amino]-N-methylbenzamide?
4-amino-3-[(4-ethylcyclohexyl)amino]-N-methylbenzamide has a molecular weight of 275.40 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(4-ethylcyclohexyl)amino]-N-methylbenzamide is sourced from PubChem (CID 63357473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).