2-[(2-ethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid

C15H17NO4 — CID 68838404

IUPAC2-[(2-ethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid
SMILESCCOc1ccccc1NC(=O)C1=C(C(=O)O)CCC1
InChIInChI=1S/C15H17NO4/c1-2-20-13-9-4-3-8-12(13)16-14(17)10-6-5-7-11(10)15(18)19/h3-4,8-9H,2,5-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyKRXPFBJGNJKNBL-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.59
Rot. Bonds5

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

2-[(2-ethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid (PubChem CID 68838404) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid
PubChem CID68838404
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-[(2-ethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid
SMILESCCOc1ccccc1NC(=O)C1=C(C(=O)O)CCC1
InChIInChI=1S/C15H17NO4/c1-2-20-13-9-4-3-8-12(13)16-14(17)10-6-5-7-11(10)15(18)19/h3-4,8-9H,2,5-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyKRXPFBJGNJKNBL-UHFFFAOYSA-N
XLogP2.59
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 996130
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CID 121187160
N-cyclohexyl-N'-(2-ethoxyphenyl)oxamide
CID 7585382
phenyl N-(2-ethoxyphenyl)carbamate
CID 51345560
N-(2-ethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 15943045
N-(2-ethoxyphenyl)-2,4,6-trimethylbenzamide
CID 17060500
2,4-diethoxy-N-(2-ethoxyphenyl)benzamide
CID 17340647
3,5-dichloro-N-(2-ethoxyphenyl)benzamide
CID 2442507
4-(cycloheptylamino)-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109217163
6-N-(2-ethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100070
6-N-(2-chlorophenyl)-2-N-(2-ethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100812

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid?
The IUPAC name of 2-[(2-ethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid (CID 68838404) is 2-[(2-ethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-[(2-ethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid?
The canonical SMILES for 2-[(2-ethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid is CCOc1ccccc1NC(=O)C1=C(C(=O)O)CCC1.
What is the InChIKey of 2-[(2-ethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid?
The InChIKey is KRXPFBJGNJKNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-2-20-13-9-4-3-8-12(13)16-14(17)10-6-5-7-11(10)15(18)19/h3-4,8-9H,2,5-7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(2-ethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid?
2-[(2-ethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid is sourced from PubChem (CID 68838404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).