1-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

C18H22N2O4 — CID 120551523

IUPAC1-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(Nc1cccc(NC(=O)C2(C(=O)O)CC2)c1)C1CCCCC1
InChIInChI=1S/C18H22N2O4/c21-15(12-5-2-1-3-6-12)19-13-7-4-8-14(11-13)20-16(22)18(9-10-18)17(23)24/h4,7-8,11-12H,1-3,5-6,9-10H2,(H,19,21)(H,20,22)(H,23,24)
InChIKeyYBCFWOZTLWIQSW-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.01
Rot. Bonds5

About 1-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

1-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 120551523) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID120551523
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name1-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(Nc1cccc(NC(=O)C2(C(=O)O)CC2)c1)C1CCCCC1
InChIInChI=1S/C18H22N2O4/c21-15(12-5-2-1-3-6-12)19-13-7-4-8-14(11-13)20-16(22)18(9-10-18)17(23)24/h4,7-8,11-12H,1-3,5-6,9-10H2,(H,19,21)(H,20,22)(H,23,24)
InChIKeyYBCFWOZTLWIQSW-UHFFFAOYSA-N
XLogP3.01
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120551532
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
1-amino-N-[3-(cyclopropanecarbonylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119710445
N-[3-(cyclohexylamino)phenyl]cyclopropanecarboxamide
CID 28620674
N-[3-(sulfamoylamino)phenyl]cyclohexanecarboxamide
CID 60729878
1-[(3-iodophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096054
1-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096058
1-N'-(3-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
CID 108972266
N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]cyclopentanecarboxamide
CID 108933365
N-[3-(cyclohexanecarbonylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120936580
N-[3-(3-phenylpropanoylamino)phenyl]cyclohexanecarboxamide
CID 17222847
N-[3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide
CID 45365632

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 120551523) is 1-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is O=C(Nc1cccc(NC(=O)C2(C(=O)O)CC2)c1)C1CCCCC1.
What is the InChIKey of 1-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is YBCFWOZTLWIQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-15(12-5-2-1-3-6-12)19-13-7-4-8-14(11-13)20-16(22)18(9-10-18)17(23)24/h4,7-8,11-12H,1-3,5-6,9-10H2,(H,19,21)(H,20,22)(H,23,24).
What are the key properties of 1-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
1-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 330.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 120551523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).