(3S)-N-[3-(cyclopentylamino)phenyl]oxane-3-carboxamide

C17H24N2O2 — CID 95629895

IUPAC(3S)-N-[3-(cyclopentylamino)phenyl]oxane-3-carboxamide
SMILESO=C(Nc1cccc(NC2CCCC2)c1)[C@H]1CCCOC1
InChIInChI=1S/C17H24N2O2/c20-17(13-5-4-10-21-12-13)19-16-9-3-8-15(11-16)18-14-6-1-2-7-14/h3,8-9,11,13-14,18H,1-2,4-7,10,12H2,(H,19,20)/t13-/m0/s1
InChIKeyVXJCZABMQQBZKZ-ZDUSSCGKSA-N
MW288.39 g/mol
LogP3.41
Rot. Bonds4

About (3S)-N-[3-(cyclopentylamino)phenyl]oxane-3-carboxamide

(3S)-N-[3-(cyclopentylamino)phenyl]oxane-3-carboxamide (PubChem CID 95629895) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (3S)-N-[3-(cyclopentylamino)phenyl]oxane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(cyclopentylamino)phenyl]oxane-3-carboxamide
PubChem CID95629895
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(3S)-N-[3-(cyclopentylamino)phenyl]oxane-3-carboxamide
SMILESO=C(Nc1cccc(NC2CCCC2)c1)[C@H]1CCCOC1
InChIInChI=1S/C17H24N2O2/c20-17(13-5-4-10-21-12-13)19-16-9-3-8-15(11-16)18-14-6-1-2-7-14/h3,8-9,11,13-14,18H,1-2,4-7,10,12H2,(H,19,20)/t13-/m0/s1
InChIKeyVXJCZABMQQBZKZ-ZDUSSCGKSA-N
XLogP3.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminophenyl)oxane-3-carboxamide
CID 63011823
N-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide
CID 28620674
N-(3-formylphenyl)oxane-3-carboxamide
CID 106912673
N-[3-(N'-hydroxycarbamimidoyl)phenyl]oxane-3-carboxamide
CID 76982117
N-(3-chlorophenyl)oxolane-3-carboxamide
CID 47443169
N-(3-fluoro-4-hydroxyphenyl)oxane-3-carboxamide
CID 64780687
N-(6-bromonaphthalen-2-yl)oxane-3-carboxamide
CID 81004002
N-[3-[(4-hydroxycyclohexyl)amino]phenyl]cyclopropanecarboxamide
CID 106593465
N-[3-(oxan-3-ylamino)phenyl]thiophene-2-carboxamide
CID 75471137
N-(3-acetylphenyl)oxolane-3-carboxamide
CID 61276696
5-(oxane-3-carbonylamino)benzene-1,3-dicarboxylic acid
CID 62760125
N-[3-(cyclopentylamino)phenyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95629890

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(cyclopentylamino)phenyl]oxane-3-carboxamide?
The IUPAC name of (3S)-N-[3-(cyclopentylamino)phenyl]oxane-3-carboxamide (CID 95629895) is (3S)-N-[3-(cyclopentylamino)phenyl]oxane-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-(cyclopentylamino)phenyl]oxane-3-carboxamide?
The canonical SMILES for (3S)-N-[3-(cyclopentylamino)phenyl]oxane-3-carboxamide is O=C(Nc1cccc(NC2CCCC2)c1)[C@H]1CCCOC1.
What is the InChIKey of (3S)-N-[3-(cyclopentylamino)phenyl]oxane-3-carboxamide?
The InChIKey is VXJCZABMQQBZKZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-17(13-5-4-10-21-12-13)19-16-9-3-8-15(11-16)18-14-6-1-2-7-14/h3,8-9,11,13-14,18H,1-2,4-7,10,12H2,(H,19,20)/t13-/m0/s1.
What are the key properties of (3S)-N-[3-(cyclopentylamino)phenyl]oxane-3-carboxamide?
(3S)-N-[3-(cyclopentylamino)phenyl]oxane-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(cyclopentylamino)phenyl]oxane-3-carboxamide is sourced from PubChem (CID 95629895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).