[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate

C20H24N2O6 — CID 7909197

IUPAC[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
SMILESCCOc1ccc(CN(C)C(=O)COC(=O)CCNC(=O)c2ccco2)cc1
InChIInChI=1S/C20H24N2O6/c1-3-26-16-8-6-15(7-9-16)13-22(2)18(23)14-28-19(24)10-11-21-20(25)17-5-4-12-27-17/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,21,25)
InChIKeyAPDQPCSMZKOMRC-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.00
Rot. Bonds10

About [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate

[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate (PubChem CID 7909197) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
PubChem CID7909197
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC Name[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
SMILESCCOc1ccc(CN(C)C(=O)COC(=O)CCNC(=O)c2ccco2)cc1
InChIInChI=1S/C20H24N2O6/c1-3-26-16-8-6-15(7-9-16)13-22(2)18(23)14-28-19(24)10-11-21-20(25)17-5-4-12-27-17/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,21,25)
InChIKeyAPDQPCSMZKOMRC-UHFFFAOYSA-N
XLogP2.00
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 55326477
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
CID 108539017
N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9417538
N-[(2S)-1-[(4-ethoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 7831628
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884860
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide
CID 43039190
N-[(4-ethoxyphenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide
CID 78779679
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60936656
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2381043
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]furan-2-carboxamide
CID 31819893
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate
CID 7671181
methyl 4-[[[2-[3-(furan-2-carbonylamino)propanoyloxy]acetyl]amino]methyl]benzoate
CID 7909212

Frequently Asked Questions

What is the IUPAC name of [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
The IUPAC name of [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate (CID 7909197) is [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
The canonical SMILES for [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate is CCOc1ccc(CN(C)C(=O)COC(=O)CCNC(=O)c2ccco2)cc1.
What is the InChIKey of [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
The InChIKey is APDQPCSMZKOMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-3-26-16-8-6-15(7-9-16)13-22(2)18(23)14-28-19(24)10-11-21-20(25)17-5-4-12-27-17/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,21,25).
What are the key properties of [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate has a molecular weight of 388.42 g/mol, XLogP of 2.00, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 7909197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).