3-amino-N-(2,5-diethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride

C16H25ClN2O3 — CID 119686949

IUPAC3-amino-N-(2,5-diethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCCOc1ccc(OCC)c(NC(=O)C2CCC(N)C2)c1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-3-20-13-7-8-15(21-4-2)14(10-13)18-16(19)11-5-6-12(17)9-11;/h7-8,10-12H,3-6,9,17H2,1-2H3,(H,18,19);1H
InChIKeyHGXHEADWDWTQFL-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.97
Rot. Bonds6

About 3-amino-N-(2,5-diethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride

3-amino-N-(2,5-diethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119686949) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 3-amino-N-(2,5-diethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2,5-diethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119686949
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name3-amino-N-(2,5-diethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCCOc1ccc(OCC)c(NC(=O)C2CCC(N)C2)c1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-3-20-13-7-8-15(21-4-2)14(10-13)18-16(19)11-5-6-12(17)9-11;/h7-8,10-12H,3-6,9,17H2,1-2H3,(H,18,19);1H
InChIKeyHGXHEADWDWTQFL-UHFFFAOYSA-N
XLogP2.97
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-bromo-2-ethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119812502
3-[(3-aminocyclohexanecarbonyl)amino]-4-ethoxy-N,N-dimethylbenzamide;hydrochloride
CID 119816560
4-amino-N-(4-ethoxy-2-methylphenyl)cyclohexane-1-carboxamide
CID 60928404
3-amino-N-(4-butoxy-2-methylphenyl)cyclopentane-1-carboxamide
CID 119739406
3-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119752414
3-amino-N-(2-bromo-4,5-diethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119745061
3-amino-N-(3-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119708471
N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide
CID 82156326
3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide
CID 119702540
3-amino-N-(5-chloro-2-propoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119725658
3-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119773171
3-amino-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119711312

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-diethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(2,5-diethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride (CID 119686949) is 3-amino-N-(2,5-diethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2,5-diethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2,5-diethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride is CCOc1ccc(OCC)c(NC(=O)C2CCC(N)C2)c1.Cl.
What is the InChIKey of 3-amino-N-(2,5-diethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is HGXHEADWDWTQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-3-20-13-7-8-15(21-4-2)14(10-13)18-16(19)11-5-6-12(17)9-11;/h7-8,10-12H,3-6,9,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 3-amino-N-(2,5-diethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-(2,5-diethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,5-diethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119686949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).