2-[(2-tert-butylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

C18H25NO3 — CID 22688945

IUPAC2-[(2-tert-butylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)c1ccccc1NC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C18H25NO3/c1-18(2,3)14-10-6-7-11-15(14)19-16(20)12-8-4-5-9-13(12)17(21)22/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyPPFVONMXIRQOCK-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.81
Rot. Bonds3

About 2-[(2-tert-butylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

2-[(2-tert-butylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 22688945) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-[(2-tert-butylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-tert-butylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID22688945
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-[(2-tert-butylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)c1ccccc1NC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C18H25NO3/c1-18(2,3)14-10-6-7-11-15(14)19-16(20)12-8-4-5-9-13(12)17(21)22/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyPPFVONMXIRQOCK-UHFFFAOYSA-N
XLogP3.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-tert-butylphenyl)cyclopentanecarboxamide
CID 7688669
2-[(2-aminophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 61403717
trans-(1S,2S)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 786077
N-(2-tert-butylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 63714112
2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2884537
trans-(1R,2R)-2-(naphthalen-1-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 823443
1-N-tert-butyl-2-N-(2-tert-butylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139608
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
(2R)-N-(2-tert-butylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119399894
N-(2-tert-butylphenyl)-1-methylpiperidine-2-carboxamide
CID 110858395
2-[[2-(methylcarbamoyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103977919
1-N-(2-tert-butylphenyl)-2-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141992

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-tert-butylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 22688945) is 2-[(2-tert-butylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-tert-butylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-tert-butylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is CC(C)(C)c1ccccc1NC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[(2-tert-butylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is PPFVONMXIRQOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-18(2,3)14-10-6-7-11-15(14)19-16(20)12-8-4-5-9-13(12)17(21)22/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 2-[(2-tert-butylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(2-tert-butylphenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 303.40 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 22688945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).