4-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

C18H25NO3 — CID 120672608

IUPAC4-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)c1ccc(CNC(=O)C2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C18H25NO3/c1-12(2)14-5-3-13(4-6-14)11-19-17(20)15-7-9-16(10-8-15)18(21)22/h3-6,12,15-16H,7-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyDLYKTPLEHQKLNM-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.32
Rot. Bonds5

About 4-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

4-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120672608) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 4-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120672608
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name4-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)c1ccc(CNC(=O)C2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C18H25NO3/c1-12(2)14-5-3-13(4-6-14)11-19-17(20)15-7-9-16(10-8-15)18(21)22/h3-6,12,15-16H,7-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyDLYKTPLEHQKLNM-UHFFFAOYSA-N
XLogP3.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550612
cumene;N-[(4-methylphenyl)methyl]cyclopropanecarboxamide
CID 171096980
4-[3-(4-propan-2-ylphenyl)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673587
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141
4-[1-(4-propan-2-ylphenyl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120692306
cumene;N-[(3-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 159103877
4-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672448
4-[(4-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672579
(3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81139149
4-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672387
4-[(4-propoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120690624
3-[(4-bromophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103549862

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 120672608) is 4-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid is CC(C)c1ccc(CNC(=O)C2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is DLYKTPLEHQKLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-12(2)14-5-3-13(4-6-14)11-19-17(20)15-7-9-16(10-8-15)18(21)22/h3-6,12,15-16H,7-11H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 4-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 303.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120672608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).