3-amino-N-[(2-cyclobutyloxyphenyl)methyl]cyclopentane-1-carboxamide

C17H24N2O2 — CID 119796168

IUPAC3-amino-N-[(2-cyclobutyloxyphenyl)methyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NCc2ccccc2OC2CCC2)C1
InChIInChI=1S/C17H24N2O2/c18-14-9-8-12(10-14)17(20)19-11-13-4-1-2-7-16(13)21-15-5-3-6-15/h1-2,4,7,12,14-15H,3,5-6,8-11,18H2,(H,19,20)
InChIKeyNHHJYUIFEPWDSH-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.36
Rot. Bonds5

About 3-amino-N-[(2-cyclobutyloxyphenyl)methyl]cyclopentane-1-carboxamide

3-amino-N-[(2-cyclobutyloxyphenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 119796168) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-amino-N-[(2-cyclobutyloxyphenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2-cyclobutyloxyphenyl)methyl]cyclopentane-1-carboxamide
PubChem CID119796168
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-amino-N-[(2-cyclobutyloxyphenyl)methyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NCc2ccccc2OC2CCC2)C1
InChIInChI=1S/C17H24N2O2/c18-14-9-8-12(10-14)17(20)19-11-13-4-1-2-7-16(13)21-15-5-3-6-15/h1-2,4,7,12,14-15H,3,5-6,8-11,18H2,(H,19,20)
InChIKeyNHHJYUIFEPWDSH-UHFFFAOYSA-N
XLogP2.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119673508
3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 66010679
3-amino-N-[[2-(2-methylpropoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119739863
3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119705493
3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119798267
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 66010662
2-amino-N-[(2-cyclopentyloxyphenyl)methyl]acetamide
CID 119284470
3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 119865223
3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119705497
3-amino-N-[(2-cyclopentyloxyphenyl)methyl]propanamide
CID 119284468
(2R)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]propanamide
CID 119330644
cis-(1R,3S)-3-amino-N-[[4-methyl-2-[(3R)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide
CID 124697586

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-cyclobutyloxyphenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[(2-cyclobutyloxyphenyl)methyl]cyclopentane-1-carboxamide (CID 119796168) is 3-amino-N-[(2-cyclobutyloxyphenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(2-cyclobutyloxyphenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(2-cyclobutyloxyphenyl)methyl]cyclopentane-1-carboxamide is NC1CCC(C(=O)NCc2ccccc2OC2CCC2)C1.
What is the InChIKey of 3-amino-N-[(2-cyclobutyloxyphenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is NHHJYUIFEPWDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c18-14-9-8-12(10-14)17(20)19-11-13-4-1-2-7-16(13)21-15-5-3-6-15/h1-2,4,7,12,14-15H,3,5-6,8-11,18H2,(H,19,20).
What are the key properties of 3-amino-N-[(2-cyclobutyloxyphenyl)methyl]cyclopentane-1-carboxamide?
3-amino-N-[(2-cyclobutyloxyphenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-cyclobutyloxyphenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119796168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).