2-[[4-(4-methoxyanilino)phenyl]carbamoyl]cyclopentene-1-carboxylic acid

C20H20N2O4 — CID 21084788

IUPAC2-[[4-(4-methoxyanilino)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
SMILESCOc1ccc(Nc2ccc(NC(=O)C3=C(C(=O)O)CCC3)cc2)cc1
InChIInChI=1S/C20H20N2O4/c1-26-16-11-9-14(10-12-16)21-13-5-7-15(8-6-13)22-19(23)17-3-2-4-18(17)20(24)25/h5-12,21H,2-4H2,1H3,(H,22,23)(H,24,25)
InChIKeyQECCAGXOXUECPE-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.94
Rot. Bonds6

About 2-[[4-(4-methoxyanilino)phenyl]carbamoyl]cyclopentene-1-carboxylic acid

2-[[4-(4-methoxyanilino)phenyl]carbamoyl]cyclopentene-1-carboxylic acid (PubChem CID 21084788) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[[4-(4-methoxyanilino)phenyl]carbamoyl]cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(4-methoxyanilino)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
PubChem CID21084788
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-[[4-(4-methoxyanilino)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
SMILESCOc1ccc(Nc2ccc(NC(=O)C3=C(C(=O)O)CCC3)cc2)cc1
InChIInChI=1S/C20H20N2O4/c1-26-16-11-9-14(10-12-16)21-13-5-7-15(8-6-13)22-19(23)17-3-2-4-18(17)20(24)25/h5-12,21H,2-4H2,1H3,(H,22,23)(H,24,25)
InChIKeyQECCAGXOXUECPE-UHFFFAOYSA-N
XLogP3.94
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(2-fluoro-5-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 137436494
2-(phenylcarbamoyl)cyclohexene-1-carboxylic acid
CID 2812906
N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363
N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987504
2-[(4-chlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 18979882
N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109199887
2-[[4-(2-phenylethenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 68838847
2,5-bis(4-methoxyanilino)terephthalic acid
CID 3084837
(4-methoxyphenyl)carbamothioic S-acid
CID 12725828
5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109196895
1,3-bis(4-methoxyphenyl)urea
CID 139045428
2-chloro-N-[4-(4-methoxyanilino)phenyl]acetamide
CID 13013378

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methoxyanilino)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The IUPAC name of 2-[[4-(4-methoxyanilino)phenyl]carbamoyl]cyclopentene-1-carboxylic acid (CID 21084788) is 2-[[4-(4-methoxyanilino)phenyl]carbamoyl]cyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(4-methoxyanilino)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The canonical SMILES for 2-[[4-(4-methoxyanilino)phenyl]carbamoyl]cyclopentene-1-carboxylic acid is COc1ccc(Nc2ccc(NC(=O)C3=C(C(=O)O)CCC3)cc2)cc1.
What is the InChIKey of 2-[[4-(4-methoxyanilino)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
The InChIKey is QECCAGXOXUECPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-26-16-11-9-14(10-12-16)21-13-5-7-15(8-6-13)22-19(23)17-3-2-4-18(17)20(24)25/h5-12,21H,2-4H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[[4-(4-methoxyanilino)phenyl]carbamoyl]cyclopentene-1-carboxylic acid?
2-[[4-(4-methoxyanilino)phenyl]carbamoyl]cyclopentene-1-carboxylic acid has a molecular weight of 352.39 g/mol, XLogP of 3.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methoxyanilino)phenyl]carbamoyl]cyclopentene-1-carboxylic acid is sourced from PubChem (CID 21084788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).