(2S)-N-[4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]oxolane-2-carboxamide

C18H22N2O3 — CID 37396123

IUPAC(2S)-N-[4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]oxolane-2-carboxamide
SMILESO=C(C[C@@H]1C=CCC1)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1
InChIInChI=1S/C18H22N2O3/c21-17(12-13-4-1-2-5-13)19-14-7-9-15(10-8-14)20-18(22)16-6-3-11-23-16/h1,4,7-10,13,16H,2-3,5-6,11-12H2,(H,19,21)(H,20,22)/t13-,16+/m1/s1
InChIKeyVBPMGBOXPYMAMN-CJNGLKHVSA-N
MW314.38 g/mol
LogP3.10
Rot. Bonds5

About (2S)-N-[4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]oxolane-2-carboxamide

(2S)-N-[4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]oxolane-2-carboxamide (PubChem CID 37396123) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is (2S)-N-[4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]oxolane-2-carboxamide
PubChem CID37396123
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name(2S)-N-[4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]oxolane-2-carboxamide
SMILESO=C(C[C@@H]1C=CCC1)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1
InChIInChI=1S/C18H22N2O3/c21-17(12-13-4-1-2-5-13)19-14-7-9-15(10-8-14)20-18(22)16-6-3-11-23-16/h1,4,7-10,13,16H,2-3,5-6,11-12H2,(H,19,21)(H,20,22)/t13-,16+/m1/s1
InChIKeyVBPMGBOXPYMAMN-CJNGLKHVSA-N
XLogP3.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide
CID 119711447
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide
CID 131950649
N-phenyloxolane-2-carboxamide
CID 3453643
N-[4-(azepan-1-yl)phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9279041
N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide
CID 114310850
N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 47309395
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010
propan-2-yl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]benzoate
CID 31011292
N-[4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]furan-2-carboxamide
CID 42014387
2-[4-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate
CID 7263699
N-(1,3-benzodioxol-5-yl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9037034

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]oxolane-2-carboxamide (CID 37396123) is (2S)-N-[4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]oxolane-2-carboxamide is O=C(C[C@@H]1C=CCC1)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1.
What is the InChIKey of (2S)-N-[4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]oxolane-2-carboxamide?
The InChIKey is VBPMGBOXPYMAMN-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-17(12-13-4-1-2-5-13)19-14-7-9-15(10-8-14)20-18(22)16-6-3-11-23-16/h1,4,7-10,13,16H,2-3,5-6,11-12H2,(H,19,21)(H,20,22)/t13-,16+/m1/s1.
What are the key properties of (2S)-N-[4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]oxolane-2-carboxamide?
(2S)-N-[4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]oxolane-2-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 37396123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).