methyl 2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetate

C13H24N2O3 — CID 60660214

IUPACmethyl 2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetate
SMILESCOC(=O)CN(C)CC(=O)NC1CCCCC1C
InChIInChI=1S/C13H24N2O3/c1-10-6-4-5-7-11(10)14-12(16)8-15(2)9-13(17)18-3/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyPLKDADALMMUQAQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.79
Rot. Bonds5

About methyl 2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetate

methyl 2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetate (PubChem CID 60660214) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetate
PubChem CID60660214
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetate
SMILESCOC(=O)CN(C)CC(=O)NC1CCCCC1C
InChIInChI=1S/C13H24N2O3/c1-10-6-4-5-7-11(10)14-12(16)8-15(2)9-13(17)18-3/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyPLKDADALMMUQAQ-UHFFFAOYSA-N
XLogP0.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]acetate
CID 55028611
N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl(prop-2-ynyl)amino]acetamide
CID 124623956
methyl 3-[ethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoate
CID 62026217
N-cyclopropyl-2-[[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 11934719
N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide
CID 99614050
N-[(1S,2R)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetamide
CID 9197964
N-[(1S,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 11939314
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9167461
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 9222495
2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid
CID 62637591
2-[(4-bromophenyl)methyl-methylamino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8709638
N-[(1S,2R)-2-methylcyclohexyl]-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]acetamide
CID 100900329

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetate (CID 60660214) is methyl 2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetate is COC(=O)CN(C)CC(=O)NC1CCCCC1C.
What is the InChIKey of methyl 2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetate?
The InChIKey is PLKDADALMMUQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10-6-4-5-7-11(10)14-12(16)8-15(2)9-13(17)18-3/h10-11H,4-9H2,1-3H3,(H,14,16).
What are the key properties of methyl 2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetate?
methyl 2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetate has a molecular weight of 256.35 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetate is sourced from PubChem (CID 60660214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).