3-[(4-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

C15H18N2O4 — CID 63790295

IUPAC3-[(4-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESNC(=O)c1ccc(NC(=O)C2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C15H18N2O4/c16-13(18)9-4-6-12(7-5-9)17-14(19)10-2-1-3-11(8-10)15(20)21/h4-7,10-11H,1-3,8H2,(H2,16,18)(H,17,19)(H,20,21)
InChIKeyURDHBKZJBKTQFT-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.62
Rot. Bonds4

About 3-[(4-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

3-[(4-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63790295) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[(4-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63790295
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-[(4-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESNC(=O)c1ccc(NC(=O)C2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C15H18N2O4/c16-13(18)9-4-6-12(7-5-9)17-14(19)10-2-1-3-11(8-10)15(20)21/h4-7,10-11H,1-3,8H2,(H2,16,18)(H,17,19)(H,20,21)
InChIKeyURDHBKZJBKTQFT-UHFFFAOYSA-N
XLogP1.62
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-carbamoyl-3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120549960
3-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549960
3-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120551532
(1S,6R)-6-[(4-carbamoylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 802032
(1R,6R)-6-[(4-carbamoylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 802027
4-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]benzamide
CID 8885141
3-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63788700
(1R,6S)-6-[(4-carbamoylphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 2271070
3-[(3,5-difluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783799
cis-(1R,3S)-3-[(2-phenylpyrimidin-5-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 146121724
3-[(5-carbamoyl-2-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550192
cis-(1S,3R)-3-[[3-(1-aminocyclopropyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 166287363

Frequently Asked Questions

What is the IUPAC name of 3-[(4-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(4-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 63790295) is 3-[(4-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(4-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is NC(=O)c1ccc(NC(=O)C2CCCC(C(=O)O)C2)cc1.
What is the InChIKey of 3-[(4-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is URDHBKZJBKTQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c16-13(18)9-4-6-12(7-5-9)17-14(19)10-2-1-3-11(8-10)15(20)21/h4-7,10-11H,1-3,8H2,(H2,16,18)(H,17,19)(H,20,21).
What are the key properties of 3-[(4-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
3-[(4-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63790295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).