2-[di(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

C14H25NO3 — CID 3791717

IUPAC2-[di(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)N(C(=O)C1CCCCC1C(=O)O)C(C)C
InChIInChI=1S/C14H25NO3/c1-9(2)15(10(3)4)13(16)11-7-5-6-8-12(11)14(17)18/h9-12H,5-8H2,1-4H3,(H,17,18)
InChIKeySJAREKSEVBZWPM-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.52
Rot. Bonds4

About 2-[di(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

2-[di(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 3791717) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[di(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[di(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID3791717
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[di(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)N(C(=O)C1CCCCC1C(=O)O)C(C)C
InChIInChI=1S/C14H25NO3/c1-9(2)15(10(3)4)13(16)11-7-5-6-8-12(11)14(17)18/h9-12H,5-8H2,1-4H3,(H,17,18)
InChIKeySJAREKSEVBZWPM-UHFFFAOYSA-N
XLogP2.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-[bis(2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 847386
cis-(1S,2R)-2-[3-hydroxypropyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 93469209
acetic acid;cyclohexane-1,2-dicarboxylic acid
CID 66603349
trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 70535628
2-[cyclohexyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977670
2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978411
cis-(1S,2R)-2-[2-methoxypropyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 112754415
2-[2-methylpropyl(pentan-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 79490717
cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 724026
(1S)-2-acetylcyclohexane-1-carboxylic acid
CID 126517131
2-[methyl(1-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43579997
2-[cyclohexyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 16792487

Frequently Asked Questions

What is the IUPAC name of 2-[di(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[di(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 3791717) is 2-[di(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[di(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[di(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid is CC(C)N(C(=O)C1CCCCC1C(=O)O)C(C)C.
What is the InChIKey of 2-[di(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is SJAREKSEVBZWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-9(2)15(10(3)4)13(16)11-7-5-6-8-12(11)14(17)18/h9-12H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 2-[di(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[di(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 3791717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).