methyl 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate

C15H28N2O3 — CID 60964383

IUPACmethyl 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C15H28N2O3/c1-12(15(19)20-4)10-16(2)11-14(18)17(3)13-8-6-5-7-9-13/h12-13H,5-11H2,1-4H3
InChIKeyQGJCXJDVQZRLAV-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.52
Rot. Bonds6

About methyl 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate

methyl 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate (PubChem CID 60964383) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is methyl 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate
PubChem CID60964383
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namemethyl 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C15H28N2O3/c1-12(15(19)20-4)10-16(2)11-14(18)17(3)13-8-6-5-7-9-13/h12-13H,5-11H2,1-4H3
InChIKeyQGJCXJDVQZRLAV-UHFFFAOYSA-N
XLogP1.52
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate with MolForge

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Related Compounds

methyl 3-[cyclobutyl(methyl)amino]-2-methylpropanoate
CID 115772286
methyl 3-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 60964543
N-cyclohexyl-2-[4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]but-2-ynyl-methylamino]-N-methylacetamide
CID 166189099
methyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate
CID 60966424
methyl 2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
CID 60964706
2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylpropanamide
CID 54873302
N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60964179
2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
CID 63066641
(2R)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]propanamide
CID 119331863
methyl 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetate
CID 80710059
2-[2-hydroxypropyl(methyl)amino]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 55060589
methyl 3-[[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 60965870

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate (CID 60964383) is methyl 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)CC(=O)N(C)C1CCCCC1.
What is the InChIKey of methyl 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate?
The InChIKey is QGJCXJDVQZRLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12(15(19)20-4)10-16(2)11-14(18)17(3)13-8-6-5-7-9-13/h12-13H,5-11H2,1-4H3.
What are the key properties of methyl 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate?
methyl 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate has a molecular weight of 284.40 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate is sourced from PubChem (CID 60964383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).