2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-methylacetamide

C13H24N4O3 — CID 78825177

IUPAC2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CC(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C13H24N4O3/c1-14-11(18)8-17(2)9-12(19)16-13(20)15-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H,14,18)(H2,15,16,19,20)
InChIKeyYIPFQTAELCKQHW-UHFFFAOYSA-N
MW284.36 g/mol
LogP-0.18
Rot. Bonds5

About 2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-methylacetamide

2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-methylacetamide (PubChem CID 78825177) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-methylacetamide
PubChem CID78825177
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CC(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C13H24N4O3/c1-14-11(18)8-17(2)9-12(19)16-13(20)15-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H,14,18)(H2,15,16,19,20)
InChIKeyYIPFQTAELCKQHW-UHFFFAOYSA-N
XLogP-0.18
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclohexyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 40706155
4-[[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9123296
2-[cyclopentyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 47126757
2-(cyclohexylcarbamoylamino)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 47412250
N-(cyclopentylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251711
N-(cyclopentylcarbamoyl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260380
2-[(4-chlorophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)acetamide
CID 9040584
N-(cyclohexylcarbamoyl)-2-hydroxyacetamide
CID 16769602
methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]acetate
CID 55028611
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclohexylcarbamoyl)acetamide
CID 116652666
N-(cyclopentylcarbamoyl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 55543794
2-chloro-N-(cyclooctylcarbamoyl)acetamide
CID 43146080

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-methylacetamide (CID 78825177) is 2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-methylacetamide is CNC(=O)CN(C)CC(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of 2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-methylacetamide?
The InChIKey is YIPFQTAELCKQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-14-11(18)8-17(2)9-12(19)16-13(20)15-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H,14,18)(H2,15,16,19,20).
What are the key properties of 2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-methylacetamide?
2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-methylacetamide has a molecular weight of 284.36 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 78825177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).