(3S)-N-[(1-phenylcyclopentyl)methyl]oxolane-3-carboxamide

C17H23NO2 — CID 95272452

IUPAC(3S)-N-[(1-phenylcyclopentyl)methyl]oxolane-3-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCCC1)[C@H]1CCOC1
InChIInChI=1S/C17H23NO2/c19-16(14-8-11-20-12-14)18-13-17(9-4-5-10-17)15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2,(H,18,19)/t14-/m0/s1
InChIKeyDYLMUEJBHZDCGJ-AWEZNQCLSA-N
MW273.38 g/mol
LogP2.65
Rot. Bonds4

About (3S)-N-[(1-phenylcyclopentyl)methyl]oxolane-3-carboxamide

(3S)-N-[(1-phenylcyclopentyl)methyl]oxolane-3-carboxamide (PubChem CID 95272452) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (3S)-N-[(1-phenylcyclopentyl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1-phenylcyclopentyl)methyl]oxolane-3-carboxamide
PubChem CID95272452
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(3S)-N-[(1-phenylcyclopentyl)methyl]oxolane-3-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCCC1)[C@H]1CCOC1
InChIInChI=1S/C17H23NO2/c19-16(14-8-11-20-12-14)18-13-17(9-4-5-10-17)15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2,(H,18,19)/t14-/m0/s1
InChIKeyDYLMUEJBHZDCGJ-AWEZNQCLSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide
CID 51078296
N-[(1-phenylcyclopentyl)methyl]cyclohexanecarboxamide
CID 18128273
N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide
CID 119275845
3-amino-N-[(1-phenylcyclopentyl)methyl]cyclopentane-1-carboxamide
CID 119698154
(2R)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26346946
(2S)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26346949
cis-(1R,3S)-3-hydroxy-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 99779324
(3R)-N-[(1-phenylcyclopentyl)methyl]oxolan-3-amine
CID 124513857
N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide
CID 42940584
N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119699128
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]oxane-4-carboxamide
CID 51283146
3-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731085

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1-phenylcyclopentyl)methyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[(1-phenylcyclopentyl)methyl]oxolane-3-carboxamide (CID 95272452) is (3S)-N-[(1-phenylcyclopentyl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1-phenylcyclopentyl)methyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[(1-phenylcyclopentyl)methyl]oxolane-3-carboxamide is O=C(NCC1(c2ccccc2)CCCC1)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[(1-phenylcyclopentyl)methyl]oxolane-3-carboxamide?
The InChIKey is DYLMUEJBHZDCGJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23NO2/c19-16(14-8-11-20-12-14)18-13-17(9-4-5-10-17)15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2,(H,18,19)/t14-/m0/s1.
What are the key properties of (3S)-N-[(1-phenylcyclopentyl)methyl]oxolane-3-carboxamide?
(3S)-N-[(1-phenylcyclopentyl)methyl]oxolane-3-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1-phenylcyclopentyl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 95272452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).