3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride

C18H27ClN2O — CID 84584678

IUPAC3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCCc1ccc(CN(C(=O)C2CCC(N)C2)C2CC2)cc1.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-2-13-3-5-14(6-4-13)12-20(17-9-10-17)18(21)15-7-8-16(19)11-15;/h3-6,15-17H,2,7-12,19H2,1H3;1H
InChIKeyZKKDRURTUMBXEO-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.29
Rot. Bonds5

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

3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 84584678) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID84584678
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCCc1ccc(CN(C(=O)C2CCC(N)C2)C2CC2)cc1.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-2-13-3-5-14(6-4-13)12-20(17-9-10-17)18(21)15-7-8-16(19)11-15;/h3-6,15-17H,2,7-12,19H2,1H3;1H
InChIKeyZKKDRURTUMBXEO-UHFFFAOYSA-N
XLogP3.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66009589
cis-(1R,3S)-3-amino-N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 133109702
3-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119715374
N-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide
CID 43460560
3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119737170
3-amino-N-methyl-N-[(4-methylsulfinylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119807766
4-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 60939318
3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride
CID 119676287
3-amino-N-[2-(4-ethylphenyl)ethyl]cyclopentane-1-carboxamide
CID 119760925
N-[(4-ethylphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630877
3-amino-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropylcyclopentane-1-carboxamide;hydrochloride
CID 119715144
4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide
CID 54870516

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride (CID 84584678) is 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride is CCc1ccc(CN(C(=O)C2CCC(N)C2)C2CC2)cc1.Cl.
What is the InChIKey of 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is ZKKDRURTUMBXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.ClH/c1-2-13-3-5-14(6-4-13)12-20(17-9-10-17)18(21)15-7-8-16(19)11-15;/h3-6,15-17H,2,7-12,19H2,1H3;1H.
What are the key properties of 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 84584678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).