2-[[4-(4-methylphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylate

C21H22NO4- — CID 4990951

IUPAC2-[[4-(4-methylphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylate
SMILESCc1ccc(Oc2ccc(NC(=O)C3CCCCC3C(=O)[O-])cc2)cc1
InChIInChI=1S/C21H23NO4/c1-14-6-10-16(11-7-14)26-17-12-8-15(9-13-17)22-20(23)18-4-2-3-5-19(18)21(24)25/h6-13,18-19H,2-5H2,1H3,(H,22,23)(H,24,25)/p-1
InChIKeyOPLVUCABQYYYSV-UHFFFAOYSA-M
MW352.41 g/mol
LogP3.28
Rot. Bonds5

About 2-[[4-(4-methylphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylate

2-[[4-(4-methylphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylate (PubChem CID 4990951) has the molecular formula C21H22NO4- and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-[[4-(4-methylphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-[[4-(4-methylphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylate
PubChem CID4990951
Molecular FormulaC21H22NO4-
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name2-[[4-(4-methylphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylate
SMILESCc1ccc(Oc2ccc(NC(=O)C3CCCCC3C(=O)[O-])cc2)cc1
InChIInChI=1S/C21H23NO4/c1-14-6-10-16(11-7-14)26-17-12-8-15(9-13-17)22-20(23)18-4-2-3-5-19(18)21(24)25/h6-13,18-19H,2-5H2,1H3,(H,22,23)(H,24,25)/p-1
InChIKeyOPLVUCABQYYYSV-UHFFFAOYSA-M
XLogP3.28
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2S)-2-[(4-naphthalen-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6974630
trans-(1S,2S)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 6958871
trans-(1R,2R)-2-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 7312282
4-[[(1R,2R)-2-carboxylatocyclohexanecarbonyl]amino]benzoate
CID 6944194
(1S,6R)-6-[[4-(3,5-dimethylphenoxy)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 7298117
cis-(1R,2S)-2-[(4-ethoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6939063
2-N-(4-methylphenyl)-1-N-(4-phenoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109141175
N-(4-methylphenyl)-2-prop-1-en-2-ylcyclohexane-1-carboxamide
CID 177026780
2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 113360982
cis-(1S,2R)-2-[[4-(carboxylatomethyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 7494747
cis-(1S,2R)-2-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 11918369
2-amino-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 12512511

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methylphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylate?
The IUPAC name of 2-[[4-(4-methylphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylate (CID 4990951) is 2-[[4-(4-methylphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylate.
What is the SMILES notation for 2-[[4-(4-methylphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylate?
The canonical SMILES for 2-[[4-(4-methylphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylate is Cc1ccc(Oc2ccc(NC(=O)C3CCCCC3C(=O)[O-])cc2)cc1.
What is the InChIKey of 2-[[4-(4-methylphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylate?
The InChIKey is OPLVUCABQYYYSV-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H23NO4/c1-14-6-10-16(11-7-14)26-17-12-8-15(9-13-17)22-20(23)18-4-2-3-5-19(18)21(24)25/h6-13,18-19H,2-5H2,1H3,(H,22,23)(H,24,25)/p-1.
What are the key properties of 2-[[4-(4-methylphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylate?
2-[[4-(4-methylphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylate has a molecular weight of 352.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methylphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 4990951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).