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

C20H19NO4 — CID 21084803

IUPAC2-[(4-phenylmethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCC1
InChIInChI=1S/C20H19NO4/c22-19(17-7-4-8-18(17)20(23)24)21-15-9-11-16(12-10-15)25-13-14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8,13H2,(H,21,22)(H,23,24)
InChIKeyKZXZZOMEQFFRIF-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.77
Rot. Bonds6

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

2-[(4-phenylmethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid (PubChem CID 21084803) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[(4-phenylmethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-phenylmethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid
PubChem CID21084803
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name2-[(4-phenylmethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCC1
InChIInChI=1S/C20H19NO4/c22-19(17-7-4-8-18(17)20(23)24)21-15-9-11-16(12-10-15)25-13-14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8,13H2,(H,21,22)(H,23,24)
InChIKeyKZXZZOMEQFFRIF-UHFFFAOYSA-N
XLogP3.77
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylmethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid?
The IUPAC name of 2-[(4-phenylmethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid (CID 21084803) is 2-[(4-phenylmethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-[(4-phenylmethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid?
The canonical SMILES for 2-[(4-phenylmethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid is O=C(O)C1=C(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCC1.
What is the InChIKey of 2-[(4-phenylmethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid?
The InChIKey is KZXZZOMEQFFRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c22-19(17-7-4-8-18(17)20(23)24)21-15-9-11-16(12-10-15)25-13-14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8,13H2,(H,21,22)(H,23,24).
What are the key properties of 2-[(4-phenylmethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid?
2-[(4-phenylmethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid has a molecular weight of 337.38 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylmethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid is sourced from PubChem (CID 21084803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).