4-[[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid

C23H27NO4 — CID 120673483

IUPAC4-[[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cccc(COc2ccc(NC(=O)C3CCC(C(=O)O)CC3)c(C)c2)c1
InChIInChI=1S/C23H27NO4/c1-15-4-3-5-17(12-15)14-28-20-10-11-21(16(2)13-20)24-22(25)18-6-8-19(9-7-18)23(26)27/h3-5,10-13,18-19H,6-9,14H2,1-2H3,(H,24,25)(H,26,27)
InChIKeySOOMKVXTUDCZDQ-UHFFFAOYSA-N
MW381.47 g/mol
LogP4.71
Rot. Bonds6

About 4-[[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid

4-[[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120673483) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is 4-[[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120673483
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name4-[[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cccc(COc2ccc(NC(=O)C3CCC(C(=O)O)CC3)c(C)c2)c1
InChIInChI=1S/C23H27NO4/c1-15-4-3-5-17(12-15)14-28-20-10-11-21(16(2)13-20)24-22(25)18-6-8-19(9-7-18)23(26)27/h3-5,10-13,18-19H,6-9,14H2,1-2H3,(H,24,25)(H,26,27)
InChIKeySOOMKVXTUDCZDQ-UHFFFAOYSA-N
XLogP4.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

(3R)-3-hydroxy-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pyrrolidine-1-carboxamide
CID 111431674
4-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide;hydrochloride
CID 120562273
2-[4-(cyclobutanecarbonylamino)-3-methylphenoxy]acetic acid
CID 119231823
2-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide
CID 119318002
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
(E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-pyridin-4-ylprop-2-enamide
CID 166196615
1-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]urea
CID 131963954
4-amino-N-(4-ethoxy-2-methylphenyl)cyclohexane-1-carboxamide
CID 60928404
1-cyclopropylethanone;ethane;methanol;1-methyl-3-(phenoxymethyl)benzene;molecular hydrogen
CID 142258906
(E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 166232048
(2S)-N-[4-[(3-cyanophenyl)methoxy]-2-methylphenyl]-5-oxopyrrolidine-2-carboxamide
CID 95328893
N-(2-methyl-4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 3046011

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 120673483) is 4-[[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid is Cc1cccc(COc2ccc(NC(=O)C3CCC(C(=O)O)CC3)c(C)c2)c1.
What is the InChIKey of 4-[[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is SOOMKVXTUDCZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c1-15-4-3-5-17(12-15)14-28-20-10-11-21(16(2)13-20)24-22(25)18-6-8-19(9-7-18)23(26)27/h3-5,10-13,18-19H,6-9,14H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 4-[[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 381.47 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).