methyl 2-[ethyl(phenyl)carbamoyl]cyclopentene-1-carboxylate

C16H19NO3 — CID 11043944

IUPACmethyl 2-[ethyl(phenyl)carbamoyl]cyclopentene-1-carboxylate
SMILESCCN(C(=O)C1=C(C(=O)OC)CCC1)c1ccccc1
InChIInChI=1S/C16H19NO3/c1-3-17(12-8-5-4-6-9-12)15(18)13-10-7-11-14(13)16(19)20-2/h4-6,8-9H,3,7,10-11H2,1-2H3
InChIKeyDVANNEAODLYXDG-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.69
Rot. Bonds4

About methyl 2-[ethyl(phenyl)carbamoyl]cyclopentene-1-carboxylate

methyl 2-[ethyl(phenyl)carbamoyl]cyclopentene-1-carboxylate (PubChem CID 11043944) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 2-[ethyl(phenyl)carbamoyl]cyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[ethyl(phenyl)carbamoyl]cyclopentene-1-carboxylate
PubChem CID11043944
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namemethyl 2-[ethyl(phenyl)carbamoyl]cyclopentene-1-carboxylate
SMILESCCN(C(=O)C1=C(C(=O)OC)CCC1)c1ccccc1
InChIInChI=1S/C16H19NO3/c1-3-17(12-8-5-4-6-9-12)15(18)13-10-7-11-14(13)16(19)20-2/h4-6,8-9H,3,7,10-11H2,1-2H3
InChIKeyDVANNEAODLYXDG-UHFFFAOYSA-N
XLogP2.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446343
N-ethyl-6-methoxy-N-phenylpyridazine-3-carboxamide
CID 90509364
N-ethyl-3-methoxy-N-phenylbenzamide
CID 3345220
1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312370
methyl 3-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 17186778
dimethyl (1S,6S)-2-benzyl-4-[ethyl(phenyl)carbamoyl]-2-azabicyclo[4.2.0]octa-3,7-diene-7,8-dicarboxylate
CID 22296360
N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
CID 52563694
4-(dimethylamino)-N-ethyl-N-phenylbenzamide
CID 110757236
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
N-ethyl-3,5-dimethyl-N-phenylbenzamide
CID 134028664
3-acetamido-N-ethyl-N-phenylbenzamide
CID 17221925

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl(phenyl)carbamoyl]cyclopentene-1-carboxylate?
The IUPAC name of methyl 2-[ethyl(phenyl)carbamoyl]cyclopentene-1-carboxylate (CID 11043944) is methyl 2-[ethyl(phenyl)carbamoyl]cyclopentene-1-carboxylate.
What is the SMILES notation for methyl 2-[ethyl(phenyl)carbamoyl]cyclopentene-1-carboxylate?
The canonical SMILES for methyl 2-[ethyl(phenyl)carbamoyl]cyclopentene-1-carboxylate is CCN(C(=O)C1=C(C(=O)OC)CCC1)c1ccccc1.
What is the InChIKey of methyl 2-[ethyl(phenyl)carbamoyl]cyclopentene-1-carboxylate?
The InChIKey is DVANNEAODLYXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-17(12-8-5-4-6-9-12)15(18)13-10-7-11-14(13)16(19)20-2/h4-6,8-9H,3,7,10-11H2,1-2H3.
What are the key properties of methyl 2-[ethyl(phenyl)carbamoyl]cyclopentene-1-carboxylate?
methyl 2-[ethyl(phenyl)carbamoyl]cyclopentene-1-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl(phenyl)carbamoyl]cyclopentene-1-carboxylate is sourced from PubChem (CID 11043944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).