[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate

C16H22N2O6 — CID 8809078

IUPAC[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
SMILESCNC(=O)CNC(=O)COC(=O)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H22N2O6/c1-17-14(19)9-18-15(20)10-24-16(21)7-5-11-4-6-12(22-2)13(8-11)23-3/h4,6,8H,5,7,9-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyPSGRBLKERRCQCM-UHFFFAOYSA-N
MW338.36 g/mol
LogP0.04
Rot. Bonds9

About [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate

[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate (PubChem CID 8809078) has the molecular formula C16H22N2O6 and a molecular weight of 338.36 g/mol. Its IUPAC name is [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
PubChem CID8809078
Molecular FormulaC16H22N2O6
Molecular Weight338.36 g/mol
Exact Mass338.15
IUPAC Name[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
SMILESCNC(=O)CNC(=O)COC(=O)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H22N2O6/c1-17-14(19)9-18-15(20)10-24-16(21)7-5-11-4-6-12(22-2)13(8-11)23-3/h4,6,8H,5,7,9-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyPSGRBLKERRCQCM-UHFFFAOYSA-N
XLogP0.04
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(benzylamino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 55325328
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667626
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 9201063
[2-(4-tert-butylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 40628747
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766111
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 35987719
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751609
2-amino-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]acetamide
CID 60848971
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 5196396
3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 70371168
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556389
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 7843710

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate?
The IUPAC name of [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate (CID 8809078) is [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate.
What is the SMILES notation for [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate?
The canonical SMILES for [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate is CNC(=O)CNC(=O)COC(=O)CCc1ccc(OC)c(OC)c1.
What is the InChIKey of [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate?
The InChIKey is PSGRBLKERRCQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O6/c1-17-14(19)9-18-15(20)10-24-16(21)7-5-11-4-6-12(22-2)13(8-11)23-3/h4,6,8H,5,7,9-10H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate?
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate has a molecular weight of 338.36 g/mol, XLogP of 0.04, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate is sourced from PubChem (CID 8809078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).