4-[[4-(2-methylpropyl)benzoyl]amino]cyclohexane-1-carboxylic acid

C18H25NO3 — CID 166193453

IUPAC4-[[4-(2-methylpropyl)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)Cc1ccc(C(=O)NC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C18H25NO3/c1-12(2)11-13-3-5-14(6-4-13)17(20)19-16-9-7-15(8-10-16)18(21)22/h3-6,12,15-16H,7-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyNMGDHJMCECQZNT-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.26
Rot. Bonds5

About 4-[[4-(2-methylpropyl)benzoyl]amino]cyclohexane-1-carboxylic acid

4-[[4-(2-methylpropyl)benzoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 166193453) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 4-[[4-(2-methylpropyl)benzoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(2-methylpropyl)benzoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID166193453
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name4-[[4-(2-methylpropyl)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)Cc1ccc(C(=O)NC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C18H25NO3/c1-12(2)11-13-3-5-14(6-4-13)17(20)19-16-9-7-15(8-10-16)18(21)22/h3-6,12,15-16H,7-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyNMGDHJMCECQZNT-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(hydroxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 60809354
4-[[4-(methoxymethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 60809682
4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229777
4-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]cyclohexane-1-carboxylic acid
CID 122030055
cis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 114173152
4-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 120687281
4-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229257
cis-(1R,3S)-3-[[4-(acetamidomethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677359
4-benzyl-N-cyclopropylbenzamide
CID 45086871
2-(cyclopropylamino)-1-[4-(2-methylpropyl)phenyl]propan-1-one
CID 112514525
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424
4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63194787

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methylpropyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[4-(2-methylpropyl)benzoyl]amino]cyclohexane-1-carboxylic acid (CID 166193453) is 4-[[4-(2-methylpropyl)benzoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[4-(2-methylpropyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[4-(2-methylpropyl)benzoyl]amino]cyclohexane-1-carboxylic acid is CC(C)Cc1ccc(C(=O)NC2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[[4-(2-methylpropyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is NMGDHJMCECQZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-12(2)11-13-3-5-14(6-4-13)17(20)19-16-9-7-15(8-10-16)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-(2-methylpropyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
4-[[4-(2-methylpropyl)benzoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 303.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methylpropyl)benzoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 166193453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).