4-[3-(4-propan-2-ylphenyl)propylcarbamoyl]cyclohexane-1-carboxylic acid

C20H29NO3 — CID 120673587

IUPAC4-[3-(4-propan-2-ylphenyl)propylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)c1ccc(CCCNC(=O)C2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C20H29NO3/c1-14(2)16-7-5-15(6-8-16)4-3-13-21-19(22)17-9-11-18(12-10-17)20(23)24/h5-8,14,17-18H,3-4,9-13H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyDSWKPUFDIKTECM-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.75
Rot. Bonds7

About 4-[3-(4-propan-2-ylphenyl)propylcarbamoyl]cyclohexane-1-carboxylic acid

4-[3-(4-propan-2-ylphenyl)propylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120673587) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[3-(4-propan-2-ylphenyl)propylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(4-propan-2-ylphenyl)propylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120673587
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name4-[3-(4-propan-2-ylphenyl)propylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)c1ccc(CCCNC(=O)C2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C20H29NO3/c1-14(2)16-7-5-15(6-8-16)4-3-13-21-19(22)17-9-11-18(12-10-17)20(23)24/h5-8,14,17-18H,3-4,9-13H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyDSWKPUFDIKTECM-UHFFFAOYSA-N
XLogP3.75
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672608
N-[3-(4-propan-2-ylphenyl)propyl]piperidine-3-carboxamide
CID 119322605
N-[3-(4-propan-2-ylphenyl)propyl]azetidine-2-carboxamide
CID 131951887
3-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550612
4-[2-(4-ethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673281
4-[1-(4-propan-2-ylphenyl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120692306
N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]cyclohexanecarboxamide
CID 55806046
4-[4-(4-nitrophenyl)butylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673532
N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide
CID 100733512
N-[3-(4-propan-2-ylphenyl)propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 131930368
4-[2-(4-acetamidophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673195
4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672169

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-propan-2-ylphenyl)propylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[3-(4-propan-2-ylphenyl)propylcarbamoyl]cyclohexane-1-carboxylic acid (CID 120673587) is 4-[3-(4-propan-2-ylphenyl)propylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[3-(4-propan-2-ylphenyl)propylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[3-(4-propan-2-ylphenyl)propylcarbamoyl]cyclohexane-1-carboxylic acid is CC(C)c1ccc(CCCNC(=O)C2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[3-(4-propan-2-ylphenyl)propylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is DSWKPUFDIKTECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c1-14(2)16-7-5-15(6-8-16)4-3-13-21-19(22)17-9-11-18(12-10-17)20(23)24/h5-8,14,17-18H,3-4,9-13H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 4-[3-(4-propan-2-ylphenyl)propylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[3-(4-propan-2-ylphenyl)propylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 331.46 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-propan-2-ylphenyl)propylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).