methyl 2-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-propylamino]acetate

C14H22N2O4 — CID 62012537

IUPACmethyl 2-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-propylamino]acetate
SMILESCCCN(CC(=O)OC)CC(=O)N(C)Cc1ccco1
InChIInChI=1S/C14H22N2O4/c1-4-7-16(11-14(18)19-3)10-13(17)15(2)9-12-6-5-8-20-12/h5-6,8H,4,7,9-11H2,1-3H3
InChIKeyRBBJAOOUCPUTKB-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.12
Rot. Bonds8

About methyl 2-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-propylamino]acetate

methyl 2-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-propylamino]acetate (PubChem CID 62012537) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 2-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-propylamino]acetate
PubChem CID62012537
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Namemethyl 2-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-propylamino]acetate
SMILESCCCN(CC(=O)OC)CC(=O)N(C)Cc1ccco1
InChIInChI=1S/C14H22N2O4/c1-4-7-16(11-14(18)19-3)10-13(17)15(2)9-12-6-5-8-20-12/h5-6,8H,4,7,9-11H2,1-3H3
InChIKeyRBBJAOOUCPUTKB-UHFFFAOYSA-N
XLogP1.12
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-propylamino]acetate
CID 62011760
methyl N-(furan-2-ylmethyl)-N-methylcarbamate
CID 2755161
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 107485690
N-(furan-2-ylmethyl)-N-methyl-2-(methylamino)acetamide
CID 43396056
N-(furan-2-ylmethyl)-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 112775334
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598
5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide
CID 107908125
methyl 2-[ethyl-[3-(furan-2-yl)propanoyl]amino]acetate
CID 54979232
N-(furan-2-ylmethyl)-2-[3-hydroxypropyl(propan-2-yl)amino]-N-methylacetamide
CID 62022579
methyl 2-[(5-ethylthiophen-2-yl)methyl-propylamino]acetate
CID 62010972
methyl 2-[(5-bromofuran-2-yl)methyl-propylamino]acetate
CID 62012332
2-[[2-(furan-2-yl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62030551

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-propylamino]acetate?
The IUPAC name of methyl 2-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-propylamino]acetate (CID 62012537) is methyl 2-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-propylamino]acetate.
What is the SMILES notation for methyl 2-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-propylamino]acetate?
The canonical SMILES for methyl 2-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-propylamino]acetate is CCCN(CC(=O)OC)CC(=O)N(C)Cc1ccco1.
What is the InChIKey of methyl 2-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-propylamino]acetate?
The InChIKey is RBBJAOOUCPUTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-4-7-16(11-14(18)19-3)10-13(17)15(2)9-12-6-5-8-20-12/h5-6,8H,4,7,9-11H2,1-3H3.
What are the key properties of methyl 2-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-propylamino]acetate?
methyl 2-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-propylamino]acetate has a molecular weight of 282.34 g/mol, XLogP of 1.12, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-propylamino]acetate is sourced from PubChem (CID 62012537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).