3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride

C16H25ClN2O2 — CID 119737170

IUPAC3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCCN(Cc1ccc(OC)cc1)C(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-3-18(16(19)13-6-7-14(17)10-13)11-12-4-8-15(20-2)9-5-12;/h4-5,8-9,13-14H,3,6-7,10-11,17H2,1-2H3;1H
InChIKeyHIMSFLNJEQVCQH-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.59
Rot. Bonds5

About 3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119737170) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119737170
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCCN(Cc1ccc(OC)cc1)C(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-3-18(16(19)13-6-7-14(17)10-13)11-12-4-8-15(20-2)9-5-12;/h4-5,8-9,13-14H,3,6-7,10-11,17H2,1-2H3;1H
InChIKeyHIMSFLNJEQVCQH-UHFFFAOYSA-N
XLogP2.59
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopentane-1-carboxamide
CID 124683673
N-ethyl-N-[(4-methoxyphenyl)methyl]oxane-4-carboxamide
CID 52572788
3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide
CID 119741679
2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119737162
3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119690221
cis-(1R,3S)-3-amino-N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 133109702
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66010420
3-amino-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119709118
3-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119805667
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopentane-1-carboxamide
CID 66008961
3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 84584678
N-ethyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 60738708

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride (CID 119737170) is 3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride is CCN(Cc1ccc(OC)cc1)C(=O)C1CCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is HIMSFLNJEQVCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-3-18(16(19)13-6-7-14(17)10-13)11-12-4-8-15(20-2)9-5-12;/h4-5,8-9,13-14H,3,6-7,10-11,17H2,1-2H3;1H.
What are the key properties of 3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119737170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).