methyl 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetate

C14H24N2O3 — CID 60670594

IUPACmethyl 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetate
SMILESCCN(C(=O)CN(C)CC(=O)OC)C1=CCCCC1
InChIInChI=1S/C14H24N2O3/c1-4-16(12-8-6-5-7-9-12)13(17)10-15(2)11-14(18)19-3/h8H,4-7,9-11H2,1-3H3
InChIKeyVBACDNKWSPWJOS-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.40
Rot. Bonds6

About methyl 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetate

methyl 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetate (PubChem CID 60670594) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetate
PubChem CID60670594
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Namemethyl 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetate
SMILESCCN(C(=O)CN(C)CC(=O)OC)C1=CCCCC1
InChIInChI=1S/C14H24N2O3/c1-4-16(12-8-6-5-7-9-12)13(17)10-15(2)11-14(18)19-3/h8H,4-7,9-11H2,1-3H3
InChIKeyVBACDNKWSPWJOS-UHFFFAOYSA-N
XLogP1.40
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetate (CID 60670594) is methyl 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetate is CCN(C(=O)CN(C)CC(=O)OC)C1=CCCCC1.
What is the InChIKey of methyl 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetate?
The InChIKey is VBACDNKWSPWJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-16(12-8-6-5-7-9-12)13(17)10-15(2)11-14(18)19-3/h8H,4-7,9-11H2,1-3H3.
What are the key properties of methyl 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetate?
methyl 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetate has a molecular weight of 268.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetate is sourced from PubChem (CID 60670594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).