2-[cyclohexylcarbamoyl(methyl)amino]-N-(2-methylpropyl)acetamide

C14H27N3O2 — CID 116657767

IUPAC2-[cyclohexylcarbamoyl(methyl)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)C(=O)NC1CCCCC1
InChIInChI=1S/C14H27N3O2/c1-11(2)9-15-13(18)10-17(3)14(19)16-12-7-5-4-6-8-12/h11-12H,4-10H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyGDLNDEBURIHPRF-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.73
Rot. Bonds5

About 2-[cyclohexylcarbamoyl(methyl)amino]-N-(2-methylpropyl)acetamide

2-[cyclohexylcarbamoyl(methyl)amino]-N-(2-methylpropyl)acetamide (PubChem CID 116657767) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[cyclohexylcarbamoyl(methyl)amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexylcarbamoyl(methyl)amino]-N-(2-methylpropyl)acetamide
PubChem CID116657767
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[cyclohexylcarbamoyl(methyl)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)C(=O)NC1CCCCC1
InChIInChI=1S/C14H27N3O2/c1-11(2)9-15-13(18)10-17(3)14(19)16-12-7-5-4-6-8-12/h11-12H,4-10H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyGDLNDEBURIHPRF-UHFFFAOYSA-N
XLogP1.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-[[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106320024
N-tert-butyl-2-[cyclooctylcarbamoyl(methyl)amino]acetamide
CID 47016225
2-(cyclohexylcarbamothioylamino)-N-(2-methylpropyl)acetamide
CID 49154483
3-cyclohexyl-1-methyl-1-(2-methylbutyl)urea
CID 115585875
3-cyclobutyl-1-methyl-1-(3-methylbutyl)urea
CID 115617736
2-[[(1R)-1-cyclohexylethyl]-(2-hydroxyethyl)amino]-N-(2-methylpropyl)acetamide
CID 100669911
2-(dimethylamino)-N-(2-methylpropyl)acetamide
CID 20735570
3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea
CID 115597933
1-N'-cycloheptyl-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971243
1-butan-2-yl-3-cyclopentyl-1-methylurea
CID 115584177
3-cyclopentyl-N-(2-methylpropyl)propanamide
CID 918369
3-cyclobutyl-1-methyl-1-(2-methylbutyl)urea
CID 115621990

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylcarbamoyl(methyl)amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[cyclohexylcarbamoyl(methyl)amino]-N-(2-methylpropyl)acetamide (CID 116657767) is 2-[cyclohexylcarbamoyl(methyl)amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[cyclohexylcarbamoyl(methyl)amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[cyclohexylcarbamoyl(methyl)amino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN(C)C(=O)NC1CCCCC1.
What is the InChIKey of 2-[cyclohexylcarbamoyl(methyl)amino]-N-(2-methylpropyl)acetamide?
The InChIKey is GDLNDEBURIHPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11(2)9-15-13(18)10-17(3)14(19)16-12-7-5-4-6-8-12/h11-12H,4-10H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of 2-[cyclohexylcarbamoyl(methyl)amino]-N-(2-methylpropyl)acetamide?
2-[cyclohexylcarbamoyl(methyl)amino]-N-(2-methylpropyl)acetamide has a molecular weight of 269.39 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylcarbamoyl(methyl)amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 116657767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).