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

C16H28N2O3 — CID 62012727

IUPACmethyl 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-propylamino]acetate
SMILESCCCN(CC(=O)OC)CC(=O)N(CC)C1=CCCCC1
InChIInChI=1S/C16H28N2O3/c1-4-11-17(13-16(20)21-3)12-15(19)18(5-2)14-9-7-6-8-10-14/h9H,4-8,10-13H2,1-3H3
InChIKeyBQEPOZRBIPVLDG-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.18
Rot. Bonds8

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

methyl 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-propylamino]acetate (PubChem CID 62012727) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is methyl 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-propylamino]acetate
PubChem CID62012727
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Namemethyl 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-propylamino]acetate
SMILESCCCN(CC(=O)OC)CC(=O)N(CC)C1=CCCCC1
InChIInChI=1S/C16H28N2O3/c1-4-11-17(13-16(20)21-3)12-15(19)18(5-2)14-9-7-6-8-10-14/h9H,4-8,10-13H2,1-3H3
InChIKeyBQEPOZRBIPVLDG-UHFFFAOYSA-N
XLogP2.18
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-propylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-propylamino]acetate?
The IUPAC name of methyl 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-propylamino]acetate (CID 62012727) is methyl 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-propylamino]acetate.
What is the SMILES notation for methyl 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-propylamino]acetate?
The canonical SMILES for methyl 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-propylamino]acetate is CCCN(CC(=O)OC)CC(=O)N(CC)C1=CCCCC1.
What is the InChIKey of methyl 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-propylamino]acetate?
The InChIKey is BQEPOZRBIPVLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-4-11-17(13-16(20)21-3)12-15(19)18(5-2)14-9-7-6-8-10-14/h9H,4-8,10-13H2,1-3H3.
What are the key properties of methyl 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-propylamino]acetate?
methyl 2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-propylamino]acetate has a molecular weight of 296.41 g/mol, XLogP of 2.18, 8 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]-propylamino]acetate is sourced from PubChem (CID 62012727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).