2-[(2-carbamoylphenyl)carbamoyl]cyclohexene-1-carboxylate

C15H15N2O4- — CID 6985731

IUPAC2-[(2-carbamoylphenyl)carbamoyl]cyclohexene-1-carboxylate
SMILESNC(=O)c1ccccc1NC(=O)C1=C(C(=O)[O-])CCCC1
InChIInChI=1S/C15H16N2O4/c16-13(18)11-7-3-4-8-12(11)17-14(19)9-5-1-2-6-10(9)15(20)21/h3-4,7-8H,1-2,5-6H2,(H2,16,18)(H,17,19)(H,20,21)/p-1
InChIKeyZROLKUGRRKERHX-UHFFFAOYSA-M
MW287.30 g/mol
LogP0.34
Rot. Bonds4

About 2-[(2-carbamoylphenyl)carbamoyl]cyclohexene-1-carboxylate

2-[(2-carbamoylphenyl)carbamoyl]cyclohexene-1-carboxylate (PubChem CID 6985731) has the molecular formula C15H15N2O4- and a molecular weight of 287.30 g/mol. Its IUPAC name is 2-[(2-carbamoylphenyl)carbamoyl]cyclohexene-1-carboxylate.

Molecular Properties

Compound Name2-[(2-carbamoylphenyl)carbamoyl]cyclohexene-1-carboxylate
PubChem CID6985731
Molecular FormulaC15H15N2O4-
Molecular Weight287.30 g/mol
Exact Mass287.10
IUPAC Name2-[(2-carbamoylphenyl)carbamoyl]cyclohexene-1-carboxylate
SMILESNC(=O)c1ccccc1NC(=O)C1=C(C(=O)[O-])CCCC1
InChIInChI=1S/C15H16N2O4/c16-13(18)11-7-3-4-8-12(11)17-14(19)9-5-1-2-6-10(9)15(20)21/h3-4,7-8H,1-2,5-6H2,(H2,16,18)(H,17,19)(H,20,21)/p-1
InChIKeyZROLKUGRRKERHX-UHFFFAOYSA-M
XLogP0.34
TPSA112.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzamidobenzamide
CID 702115
4-N-(2-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 71944310
2-[(4-hydroxybenzoyl)amino]benzamide
CID 110462650
N-(2-carbamoylphenyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 47008398
cis-(1R,2S)-2-[(2-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6920114
N-(2-carbamoylphenyl)-5-methylpyrazine-2-carboxamide
CID 27687729
2-[[4-(bromomethyl)benzoyl]amino]benzamide
CID 102850971
N-(2-carbamoylphenyl)-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 134096944
2-[[2-(ethylamino)benzoyl]amino]benzamide
CID 63107722
4-amino-N-(2-carbamoylphenyl)-1H-pyrrole-2-carboxamide
CID 43643909
2-[(1-phenylcyclopentanecarbonyl)amino]benzamide
CID 28624302
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]benzamide
CID 115434729

Frequently Asked Questions

What is the IUPAC name of 2-[(2-carbamoylphenyl)carbamoyl]cyclohexene-1-carboxylate?
The IUPAC name of 2-[(2-carbamoylphenyl)carbamoyl]cyclohexene-1-carboxylate (CID 6985731) is 2-[(2-carbamoylphenyl)carbamoyl]cyclohexene-1-carboxylate.
What is the SMILES notation for 2-[(2-carbamoylphenyl)carbamoyl]cyclohexene-1-carboxylate?
The canonical SMILES for 2-[(2-carbamoylphenyl)carbamoyl]cyclohexene-1-carboxylate is NC(=O)c1ccccc1NC(=O)C1=C(C(=O)[O-])CCCC1.
What is the InChIKey of 2-[(2-carbamoylphenyl)carbamoyl]cyclohexene-1-carboxylate?
The InChIKey is ZROLKUGRRKERHX-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H16N2O4/c16-13(18)11-7-3-4-8-12(11)17-14(19)9-5-1-2-6-10(9)15(20)21/h3-4,7-8H,1-2,5-6H2,(H2,16,18)(H,17,19)(H,20,21)/p-1.
What are the key properties of 2-[(2-carbamoylphenyl)carbamoyl]cyclohexene-1-carboxylate?
2-[(2-carbamoylphenyl)carbamoyl]cyclohexene-1-carboxylate has a molecular weight of 287.30 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-carbamoylphenyl)carbamoyl]cyclohexene-1-carboxylate is sourced from PubChem (CID 6985731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).