4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid

C18H25NO3 — CID 119229777

IUPAC4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)c1ccc(C(=O)NC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C18H25NO3/c1-18(2,3)14-8-4-12(5-9-14)16(20)19-15-10-6-13(7-11-15)17(21)22/h4-5,8-9,13,15H,6-7,10-11H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyVJLDPERTHHOXJU-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.36
Rot. Bonds3

About 4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid

4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 119229777) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID119229777
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)c1ccc(C(=O)NC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C18H25NO3/c1-18(2,3)14-8-4-12(5-9-14)16(20)19-15-10-6-13(7-11-15)17(21)22/h4-5,8-9,13,15H,6-7,10-11H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyVJLDPERTHHOXJU-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-(4-oxocyclohexyl)benzamide
CID 43652861
4-[[4-(hydroxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 60809354
4-[[4-(methoxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 60809682
4-[[4-(2-methylpropyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 166193453
4-[3-(4-tert-butylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229878
4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63194787
2-[[4-(cyclopropylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid
CID 120516012
1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid
CID 120512373
4-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808216
3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
cis-(1S,3R)-3-[[4-[(2,2-dimethylpropanoylamino)methyl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120676313
4-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 60809997

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid (CID 119229777) is 4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid is CC(C)(C)c1ccc(C(=O)NC2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is VJLDPERTHHOXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-18(2,3)14-8-4-12(5-9-14)16(20)19-15-10-6-13(7-11-15)17(21)22/h4-5,8-9,13,15H,6-7,10-11H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid?
4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 303.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).