3-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride

C17H25ClN2O2 — CID 119715374

IUPAC3-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCOc1ccccc1CN(C(=O)C1CCC(N)C1)C1CC1.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-21-16-5-3-2-4-13(16)11-19(15-8-9-15)17(20)12-6-7-14(18)10-12;/h2-5,12,14-15H,6-11,18H2,1H3;1H
InChIKeyAFPNWQZZZIJOTP-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.74
Rot. Bonds5

About 3-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119715374) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119715374
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name3-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCOc1ccccc1CN(C(=O)C1CCC(N)C1)C1CC1.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-21-16-5-3-2-4-13(16)11-19(15-8-9-15)17(20)12-6-7-14(18)10-12;/h2-5,12,14-15H,6-11,18H2,1H3;1H
InChIKeyAFPNWQZZZIJOTP-UHFFFAOYSA-N
XLogP2.74
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621348
3-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119719111
(2S,4S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120621349
ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate
CID 61068925
(2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 54995705
3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 84584678
cis-(1R,3S)-3-amino-N-[(2-methoxyphenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide
CID 131912242
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119775947
cis-(1S,3R)-3-amino-N-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 133113913
2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]butanamide
CID 54872454
4-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]benzamide;hydrochloride
CID 119284935
N-cyclopropyl-2-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 86851913

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride (CID 119715374) is 3-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride is COc1ccccc1CN(C(=O)C1CCC(N)C1)C1CC1.Cl.
What is the InChIKey of 3-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is AFPNWQZZZIJOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.ClH/c1-21-16-5-3-2-4-13(16)11-19(15-8-9-15)17(20)12-6-7-14(18)10-12;/h2-5,12,14-15H,6-11,18H2,1H3;1H.
What are the key properties of 3-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 324.85 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119715374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).