methyl 3-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-ethylamino]propanoate

C16H30N2O3 — CID 62026607

IUPACmethyl 3-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)CC(=O)N(CC)C1CCCCC1
InChIInChI=1S/C16H30N2O3/c1-4-17(12-11-16(20)21-3)13-15(19)18(5-2)14-9-7-6-8-10-14/h14H,4-13H2,1-3H3
InChIKeyKBWANONMIUMPJL-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.05
Rot. Bonds8

About methyl 3-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-ethylamino]propanoate

methyl 3-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-ethylamino]propanoate (PubChem CID 62026607) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is methyl 3-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-ethylamino]propanoate
PubChem CID62026607
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Namemethyl 3-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)CC(=O)N(CC)C1CCCCC1
InChIInChI=1S/C16H30N2O3/c1-4-17(12-11-16(20)21-3)13-15(19)18(5-2)14-9-7-6-8-10-14/h14H,4-13H2,1-3H3
InChIKeyKBWANONMIUMPJL-UHFFFAOYSA-N
XLogP2.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-ethyl-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115666221
methyl 3-[cyclopentyl(propanoyl)amino]propanoate
CID 48865277
methyl 3-[ethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoate
CID 62026217
methyl 3-[2-[bis[2-[cyclododecyl-(3-methoxy-3-oxopropyl)amino]ethyl]amino]ethyl-cyclododecylamino]propanoate
CID 15664430
methyl 3-[cyclopentyl(cyclopropanecarbonyl)amino]propanoate
CID 48865248
N,N'-dicyclohexyl-N,N'-diethyltetradecanediamide
CID 20752264
2-[carboxymethyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
CID 55245176
methyl 4-[cyclohexyl(methyl)amino]-4-oxobutanoate
CID 115174643
methyl 2-[acetyl(cyclopentyl)amino]acetate
CID 80709615
ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-ethylamino]acetate
CID 62026563
3-amino-N-cyclohexyl-N-ethylpropanamide
CID 16786481
methyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
CID 62028503

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-ethylamino]propanoate?
The IUPAC name of methyl 3-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-ethylamino]propanoate (CID 62026607) is methyl 3-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-ethylamino]propanoate.
What is the SMILES notation for methyl 3-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-ethylamino]propanoate?
The canonical SMILES for methyl 3-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-ethylamino]propanoate is CCN(CCC(=O)OC)CC(=O)N(CC)C1CCCCC1.
What is the InChIKey of methyl 3-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-ethylamino]propanoate?
The InChIKey is KBWANONMIUMPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-17(12-11-16(20)21-3)13-15(19)18(5-2)14-9-7-6-8-10-14/h14H,4-13H2,1-3H3.
What are the key properties of methyl 3-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-ethylamino]propanoate?
methyl 3-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-ethylamino]propanoate has a molecular weight of 298.43 g/mol, XLogP of 2.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-ethylamino]propanoate is sourced from PubChem (CID 62026607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).