[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate

C20H23N3O9 — CID 35842164

IUPAC[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
SMILESCOc1cc(C(=O)NCC(=O)OCC(=O)NC(=O)NCc2ccco2)cc(OC)c1OC
InChIInChI=1S/C20H23N3O9/c1-28-14-7-12(8-15(29-2)18(14)30-3)19(26)21-10-17(25)32-11-16(24)23-20(27)22-9-13-5-4-6-31-13/h4-8H,9-11H2,1-3H3,(H,21,26)(H2,22,23,24,27)
InChIKeySIVWBWPSYAPLRC-UHFFFAOYSA-N
MW449.42 g/mol
LogP0.60
Rot. Bonds10

About [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate (PubChem CID 35842164) has the molecular formula C20H23N3O9 and a molecular weight of 449.42 g/mol. Its IUPAC name is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
PubChem CID35842164
Molecular FormulaC20H23N3O9
Molecular Weight449.42 g/mol
Exact Mass449.14
IUPAC Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
SMILESCOc1cc(C(=O)NCC(=O)OCC(=O)NC(=O)NCc2ccco2)cc(OC)c1OC
InChIInChI=1S/C20H23N3O9/c1-28-14-7-12(8-15(29-2)18(14)30-3)19(26)21-10-17(25)32-11-16(24)23-20(27)22-9-13-5-4-6-31-13/h4-8H,9-11H2,1-3H3,(H,21,26)(H2,22,23,24,27)
InChIKeySIVWBWPSYAPLRC-UHFFFAOYSA-N
XLogP0.60
TPSA154.43 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.42
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate with MolForge

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

Launch Full Analysis

Related Compounds

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 18208692
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590459
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate
CID 35863456
N-(furan-2-ylmethylcarbamothioyl)-3,4,5-trimethoxybenzamide
CID 1248224
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 42486611
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 28638324
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24517194
4-O-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 9116888
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 7194553
4-(2-amino-2-oxoethoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxybenzamide
CID 9081389
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523204
3,5-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 9081404

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
The IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate (CID 35842164) is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate is COc1cc(C(=O)NCC(=O)OCC(=O)NC(=O)NCc2ccco2)cc(OC)c1OC.
What is the InChIKey of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
The InChIKey is SIVWBWPSYAPLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O9/c1-28-14-7-12(8-15(29-2)18(14)30-3)19(26)21-10-17(25)32-11-16(24)23-20(27)22-9-13-5-4-6-31-13/h4-8H,9-11H2,1-3H3,(H,21,26)(H2,22,23,24,27).
What are the key properties of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate has a molecular weight of 449.42 g/mol, XLogP of 0.60, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 35842164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).