4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexane-1-carboxylic acid

C22H26N2O4 — CID 59278786

IUPAC4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccc(C2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C22H26N2O4/c1-14-3-12-20(28-2)19(13-14)24-22(27)23-18-10-8-16(9-11-18)15-4-6-17(7-5-15)21(25)26/h3,8-13,15,17H,4-7H2,1-2H3,(H,25,26)(H2,23,24,27)
InChIKeyGZUBDFMDQGFLLS-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.01
Rot. Bonds5

About 4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexane-1-carboxylic acid

4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexane-1-carboxylic acid (PubChem CID 59278786) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexane-1-carboxylic acid
PubChem CID59278786
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccc(C2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C22H26N2O4/c1-14-3-12-20(28-2)19(13-14)24-22(27)23-18-10-8-16(9-11-18)15-4-6-17(7-5-15)21(25)26/h3,8-13,15,17H,4-7H2,1-2H3,(H,25,26)(H2,23,24,27)
InChIKeyGZUBDFMDQGFLLS-UHFFFAOYSA-N
XLogP5.01
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-hydroxycyclohexyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea
CID 71072413
2-[[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]amino]-2-methylpropanoic acid
CID 24992616
methyl 2-[[2-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexyl]-2-oxoethyl]amino]-2-methylpropanoate
CID 68588073
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
cis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324088
1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 17284854
4-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 83652520
methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate
CID 108992050
1-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119908046
1-(2-methoxy-5-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69447816
1-N-(4-ethylphenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150784
1-N-(2-methoxy-5-methylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144583

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexane-1-carboxylic acid (CID 59278786) is 4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexane-1-carboxylic acid is COc1ccc(C)cc1NC(=O)Nc1ccc(C2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexane-1-carboxylic acid?
The InChIKey is GZUBDFMDQGFLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-14-3-12-20(28-2)19(13-14)24-22(27)23-18-10-8-16(9-11-18)15-4-6-17(7-5-15)21(25)26/h3,8-13,15,17H,4-7H2,1-2H3,(H,25,26)(H2,23,24,27).
What are the key properties of 4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexane-1-carboxylic acid?
4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexane-1-carboxylic acid has a molecular weight of 382.46 g/mol, XLogP of 5.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 59278786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).