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

C20H29NO3 — CID 120692306

IUPAC4-[1-(4-propan-2-ylphenyl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(Cc1ccc(C(C)C)cc1)NC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C20H29NO3/c1-13(2)16-6-4-15(5-7-16)12-14(3)21-19(22)17-8-10-18(11-9-17)20(23)24/h4-7,13-14,17-18H,8-12H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyOWOWPCGFTBQUDH-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.75
Rot. Bonds6

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

4-[1-(4-propan-2-ylphenyl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120692306) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[1-(4-propan-2-ylphenyl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-(4-propan-2-ylphenyl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120692306
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name4-[1-(4-propan-2-ylphenyl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(Cc1ccc(C(C)C)cc1)NC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C20H29NO3/c1-13(2)16-6-4-15(5-7-16)12-14(3)21-19(22)17-8-10-18(11-9-17)20(23)24/h4-7,13-14,17-18H,8-12H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyOWOWPCGFTBQUDH-UHFFFAOYSA-N
XLogP3.75
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

N-[1-[4-[2-(4-propan-2-ylphenyl)ethynyl]phenyl]propan-2-yl]cyclopropanecarboxamide
CID 90429490
4-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672608
N-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 59422599
4-[3-(4-propan-2-ylphenyl)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673587
4-ethyl-N-[(2S)-1-phenylpropan-2-yl]cyclohexane-1-carboxamide
CID 143582759
4-(4-methylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120674506
3-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550612
N-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxamide
CID 63010034
(2R)-2-amino-N-[1-(4-propan-2-ylphenyl)propan-2-yl]propanamide;hydrochloride
CID 120873867
1-methyl-N-[1-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide
CID 145353936
2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975257
3-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119734872

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-propan-2-ylphenyl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[1-(4-propan-2-ylphenyl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid (CID 120692306) is 4-[1-(4-propan-2-ylphenyl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[1-(4-propan-2-ylphenyl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[1-(4-propan-2-ylphenyl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid is CC(Cc1ccc(C(C)C)cc1)NC(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[1-(4-propan-2-ylphenyl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is OWOWPCGFTBQUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c1-13(2)16-6-4-15(5-7-16)12-14(3)21-19(22)17-8-10-18(11-9-17)20(23)24/h4-7,13-14,17-18H,8-12H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 4-[1-(4-propan-2-ylphenyl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[1-(4-propan-2-ylphenyl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 331.46 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-propan-2-ylphenyl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120692306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).