1-cyclohexyl-3-(2,2,5-trimethyl-4-oxohexan-3-yl)urea

C16H30N2O2 — CID 143418831

IUPAC1-cyclohexyl-3-(2,2,5-trimethyl-4-oxohexan-3-yl)urea
SMILESCC(C)C(=O)C(NC(=O)NC1CCCCC1)C(C)(C)C
InChIInChI=1S/C16H30N2O2/c1-11(2)13(19)14(16(3,4)5)18-15(20)17-12-9-7-6-8-10-12/h11-12,14H,6-10H2,1-5H3,(H2,17,18,20)
InChIKeyFOQRRQVSFDUJRI-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.26
Rot. Bonds4

About 1-cyclohexyl-3-(2,2,5-trimethyl-4-oxohexan-3-yl)urea

1-cyclohexyl-3-(2,2,5-trimethyl-4-oxohexan-3-yl)urea (PubChem CID 143418831) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,2,5-trimethyl-4-oxohexan-3-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,2,5-trimethyl-4-oxohexan-3-yl)urea
PubChem CID143418831
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-cyclohexyl-3-(2,2,5-trimethyl-4-oxohexan-3-yl)urea
SMILESCC(C)C(=O)C(NC(=O)NC1CCCCC1)C(C)(C)C
InChIInChI=1S/C16H30N2O2/c1-11(2)13(19)14(16(3,4)5)18-15(20)17-12-9-7-6-8-10-12/h11-12,14H,6-10H2,1-5H3,(H2,17,18,20)
InChIKeyFOQRRQVSFDUJRI-UHFFFAOYSA-N
XLogP3.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(cycloheptylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 61196717
2-(cyclobutylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 62416183
(2R)-2-(cyclohexylcarbamoylamino)-3-methylbutanoic acid
CID 2050014
1-cyclopropyl-3-(2,2-dimethyl-4-oxopentan-3-yl)urea;ethane
CID 143418948
2-(cyclopentylcarbamoylamino)-3-methylbutanamide
CID 104858398
1-cyclohexyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 79255042
N-cyclopentyl-2-(cyclopropylcarbamoylamino)propanamide
CID 47076626
2-(1-cyclohexylethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 62405639
(2R)-3,3-dimethyl-2-(piperidin-4-ylcarbamoylamino)butanoic acid
CID 113353183
1-cyclopentyl-3-[(1R)-1-methylsulfanylethyl]urea
CID 149014671
1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea
CID 127009415
1-cyclohexyl-3-(4-methylsulfinylbutan-2-yl)urea
CID 115698103

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,2,5-trimethyl-4-oxohexan-3-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(2,2,5-trimethyl-4-oxohexan-3-yl)urea (CID 143418831) is 1-cyclohexyl-3-(2,2,5-trimethyl-4-oxohexan-3-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2,2,5-trimethyl-4-oxohexan-3-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2,2,5-trimethyl-4-oxohexan-3-yl)urea is CC(C)C(=O)C(NC(=O)NC1CCCCC1)C(C)(C)C.
What is the InChIKey of 1-cyclohexyl-3-(2,2,5-trimethyl-4-oxohexan-3-yl)urea?
The InChIKey is FOQRRQVSFDUJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-11(2)13(19)14(16(3,4)5)18-15(20)17-12-9-7-6-8-10-12/h11-12,14H,6-10H2,1-5H3,(H2,17,18,20).
What are the key properties of 1-cyclohexyl-3-(2,2,5-trimethyl-4-oxohexan-3-yl)urea?
1-cyclohexyl-3-(2,2,5-trimethyl-4-oxohexan-3-yl)urea has a molecular weight of 282.43 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,2,5-trimethyl-4-oxohexan-3-yl)urea is sourced from PubChem (CID 143418831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).