ethyl 3-[(1-phenylcyclopentanecarbonyl)amino]benzoate

C21H23NO3 — CID 4162614

IUPACethyl 3-[(1-phenylcyclopentanecarbonyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C2(c3ccccc3)CCCC2)c1
InChIInChI=1S/C21H23NO3/c1-2-25-19(23)16-9-8-12-18(15-16)22-20(24)21(13-6-7-14-21)17-10-4-3-5-11-17/h3-5,8-12,15H,2,6-7,13-14H2,1H3,(H,22,24)
InChIKeyFLWSDZNURMVBJZ-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.31
Rot. Bonds5

About ethyl 3-[(1-phenylcyclopentanecarbonyl)amino]benzoate

ethyl 3-[(1-phenylcyclopentanecarbonyl)amino]benzoate (PubChem CID 4162614) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is ethyl 3-[(1-phenylcyclopentanecarbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(1-phenylcyclopentanecarbonyl)amino]benzoate
PubChem CID4162614
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Nameethyl 3-[(1-phenylcyclopentanecarbonyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C2(c3ccccc3)CCCC2)c1
InChIInChI=1S/C21H23NO3/c1-2-25-19(23)16-9-8-12-18(15-16)22-20(24)21(13-6-7-14-21)17-10-4-3-5-11-17/h3-5,8-12,15H,2,6-7,13-14H2,1H3,(H,22,24)
InChIKeyFLWSDZNURMVBJZ-UHFFFAOYSA-N
XLogP4.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-phenylcyclopropanecarbonyl)amino]benzamide
CID 51152911
ethyl 3-[(1-cyanocyclohexanecarbonyl)amino]benzoate
CID 60584377
N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676
ethyl 3-acetamidobenzoate
CID 700589
2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid
CID 119352047
ethyl 3-(3-oxobutanoylamino)benzoate
CID 18072873
ethyl 3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate
CID 100704037
N-(3-methyl-4-propoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658553
1-(4-bromophenyl)-N-[3-(propanoylamino)phenyl]cyclopentane-1-carboxamide
CID 28624202
ethyl 3-[(2-carbamoylcyclohexene-1-carbonyl)amino]benzoate
CID 13307424
N-(6-ethoxy-5-methyl-3-pyridinyl)-1-phenylcyclohexane-1-carboxamide
CID 100770531
ethyl 4-[[1-(3,4-dimethoxyphenyl)cyclopentanecarbonyl]amino]benzoate
CID 1147522

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(1-phenylcyclopentanecarbonyl)amino]benzoate?
The IUPAC name of ethyl 3-[(1-phenylcyclopentanecarbonyl)amino]benzoate (CID 4162614) is ethyl 3-[(1-phenylcyclopentanecarbonyl)amino]benzoate.
What is the SMILES notation for ethyl 3-[(1-phenylcyclopentanecarbonyl)amino]benzoate?
The canonical SMILES for ethyl 3-[(1-phenylcyclopentanecarbonyl)amino]benzoate is CCOC(=O)c1cccc(NC(=O)C2(c3ccccc3)CCCC2)c1.
What is the InChIKey of ethyl 3-[(1-phenylcyclopentanecarbonyl)amino]benzoate?
The InChIKey is FLWSDZNURMVBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-2-25-19(23)16-9-8-12-18(15-16)22-20(24)21(13-6-7-14-21)17-10-4-3-5-11-17/h3-5,8-12,15H,2,6-7,13-14H2,1H3,(H,22,24).
What are the key properties of ethyl 3-[(1-phenylcyclopentanecarbonyl)amino]benzoate?
ethyl 3-[(1-phenylcyclopentanecarbonyl)amino]benzoate has a molecular weight of 337.42 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(1-phenylcyclopentanecarbonyl)amino]benzoate is sourced from PubChem (CID 4162614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).