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

C18H18N2O3 — CID 42014387

IUPACN-[4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(C[C@H]1C=CCC1)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H18N2O3/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/h1,3-4,6-11,13H,2,5,12H2,(H,19,21)(H,20,22)/t13-/m0/s1
InChIKeySEBRCUUIGVXAKT-ZDUSSCGKSA-N
MW310.35 g/mol
LogP3.83
Rot. Bonds5

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

N-[4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]furan-2-carboxamide (PubChem CID 42014387) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]furan-2-carboxamide
PubChem CID42014387
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(C[C@H]1C=CCC1)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H18N2O3/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/h1,3-4,6-11,13H,2,5,12H2,(H,19,21)(H,20,22)/t13-/m0/s1
InChIKeySEBRCUUIGVXAKT-ZDUSSCGKSA-N
XLogP3.83
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.83
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-cyclohexylacetyl)amino]phenyl]furan-2-carboxamide
CID 30783674
N-[4-[(2-piperidin-4-ylacetyl)amino]phenyl]furan-2-carboxamide;hydrochloride
CID 119700778
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
4-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-methylbenzamide
CID 18196739
4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9203613
2-[(1R)-cyclohex-2-en-1-yl]-N-phenylacetamide
CID 102462286
(2S)-N-[4-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]oxolane-2-carboxamide
CID 37396123
propan-2-yl 4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]benzoate
CID 31011292
N-(1,3-benzodioxol-5-yl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9037034
N-[4-(azepan-1-yl)phenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9279041
N-(1,3-benzodioxol-5-yl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9037032
N-[4-(4-hydroxybutanoylamino)phenyl]furan-2-carboxamide
CID 79204658

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]furan-2-carboxamide (CID 42014387) is N-[4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]furan-2-carboxamide is O=C(C[C@H]1C=CCC1)Nc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is SEBRCUUIGVXAKT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18N2O3/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/h1,3-4,6-11,13H,2,5,12H2,(H,19,21)(H,20,22)/t13-/m0/s1.
What are the key properties of N-[4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]furan-2-carboxamide?
N-[4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 42014387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).