4-amino-3-(cyclopentylamino)-N-ethylbenzamide

C14H21N3O — CID 63360547

IUPAC4-amino-3-(cyclopentylamino)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)c(NC2CCCC2)c1
InChIInChI=1S/C14H21N3O/c1-2-16-14(18)10-7-8-12(15)13(9-10)17-11-5-3-4-6-11/h7-9,11,17H,2-6,15H2,1H3,(H,16,18)
InChIKeyONENGWIJUILCTG-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.37
Rot. Bonds4

About 4-amino-3-(cyclopentylamino)-N-ethylbenzamide

4-amino-3-(cyclopentylamino)-N-ethylbenzamide (PubChem CID 63360547) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-amino-3-(cyclopentylamino)-N-ethylbenzamide.

Molecular Properties

Compound Name4-amino-3-(cyclopentylamino)-N-ethylbenzamide
PubChem CID63360547
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-amino-3-(cyclopentylamino)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)c(NC2CCCC2)c1
InChIInChI=1S/C14H21N3O/c1-2-16-14(18)10-7-8-12(15)13(9-10)17-11-5-3-4-6-11/h7-9,11,17H,2-6,15H2,1H3,(H,16,18)
InChIKeyONENGWIJUILCTG-UHFFFAOYSA-N
XLogP2.37
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.37
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-3-(2-cyclopentylethylamino)-N-ethylbenzamide
CID 63360616
4-amino-N-ethyl-3-[(2-methylcyclohexyl)methylamino]benzamide
CID 63358840
4-(cyclopentylamino)-N-ethyl-3-nitrobenzamide
CID 82989614
3-amino-4-[(1,1-dioxothian-4-yl)amino]-N-ethylbenzamide
CID 82989589
4-amino-3-[(4-ethylcyclohexyl)amino]-N-methylbenzamide
CID 63357473
N-ethyl-4-methyl-3-[(4-methylcycloheptyl)amino]benzamide
CID 65080069
4-(cyclohexylamino)-N-ethylbenzamide
CID 43728555
4-amino-3-(cyclohexylmethoxy)-N-ethylbenzamide
CID 63358647
N-ethyl-4-methyl-3-[(4-methylcyclohexyl)amino]benzamide
CID 43734886
4-amino-N-ethyl-3-[1-(oxolan-2-yl)ethylamino]benzamide
CID 63361049
3-amino-4-[(2,2-dimethylcyclohexyl)amino]-N-ethylbenzamide
CID 82990439
4-amino-N-ethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63820564

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(cyclopentylamino)-N-ethylbenzamide?
The IUPAC name of 4-amino-3-(cyclopentylamino)-N-ethylbenzamide (CID 63360547) is 4-amino-3-(cyclopentylamino)-N-ethylbenzamide.
What is the SMILES notation for 4-amino-3-(cyclopentylamino)-N-ethylbenzamide?
The canonical SMILES for 4-amino-3-(cyclopentylamino)-N-ethylbenzamide is CCNC(=O)c1ccc(N)c(NC2CCCC2)c1.
What is the InChIKey of 4-amino-3-(cyclopentylamino)-N-ethylbenzamide?
The InChIKey is ONENGWIJUILCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-16-14(18)10-7-8-12(15)13(9-10)17-11-5-3-4-6-11/h7-9,11,17H,2-6,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-3-(cyclopentylamino)-N-ethylbenzamide?
4-amino-3-(cyclopentylamino)-N-ethylbenzamide has a molecular weight of 247.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(cyclopentylamino)-N-ethylbenzamide is sourced from PubChem (CID 63360547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).