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

C17H25ClN2O2 — CID 119697842

IUPAC3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCOc1ccc(C(NC(=O)C2CCC(N)C2)C2CC2)cc1.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-21-15-8-5-12(6-9-15)16(11-2-3-11)19-17(20)13-4-7-14(18)10-13;/h5-6,8-9,11,13-14,16H,2-4,7,10,18H2,1H3,(H,19,20);1H
InChIKeyBRDIPIDYEUNUGG-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.81
Rot. Bonds5

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

3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119697842) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119697842
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCOc1ccc(C(NC(=O)C2CCC(N)C2)C2CC2)cc1.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-21-15-8-5-12(6-9-15)16(11-2-3-11)19-17(20)13-4-7-14(18)10-13;/h5-6,8-9,11,13-14,16H,2-4,7,10,18H2,1H3,(H,19,20);1H
InChIKeyBRDIPIDYEUNUGG-UHFFFAOYSA-N
XLogP2.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 119697846
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CID 120985157
3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119775064
3-amino-N-[1-(4-methoxyphenyl)pentyl]cyclopentane-1-carboxamide
CID 119774262
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CID 46571953
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030664
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CID 60701189
(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119275692
N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-2-carboxamide
CID 46449818
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CID 61253815
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride (CID 119697842) is 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride is COc1ccc(C(NC(=O)C2CCC(N)C2)C2CC2)cc1.Cl.
What is the InChIKey of 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is BRDIPIDYEUNUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.ClH/c1-21-15-8-5-12(6-9-15)16(11-2-3-11)19-17(20)13-4-7-14(18)10-13;/h5-6,8-9,11,13-14,16H,2-4,7,10,18H2,1H3,(H,19,20);1H.
What are the key properties of 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 324.85 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119697842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).