[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate

C23H21NO6 — CID 7727719

IUPAC[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
SMILESCOc1cccc(CNC(=O)COC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)c1
InChIInChI=1S/C23H21NO6/c1-15(25)17-6-8-18(9-7-17)20-10-11-21(30-20)23(27)29-14-22(26)24-13-16-4-3-5-19(12-16)28-2/h3-12H,13-14H2,1-2H3,(H,24,26)
InChIKeyYBEVWNMKAYESDO-UHFFFAOYSA-N
MW407.42 g/mol
LogP3.63
Rot. Bonds8

About [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate

[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate (PubChem CID 7727719) has the molecular formula C23H21NO6 and a molecular weight of 407.42 g/mol. Its IUPAC name is [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
PubChem CID7727719
Molecular FormulaC23H21NO6
Molecular Weight407.42 g/mol
Exact Mass407.14
IUPAC Name[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
SMILESCOc1cccc(CNC(=O)COC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)c1
InChIInChI=1S/C23H21NO6/c1-15(25)17-6-8-18(9-7-17)20-10-11-21(30-20)23(27)29-14-22(26)24-13-16-4-3-5-19(12-16)28-2/h3-12H,13-14H2,1-2H3,(H,24,26)
InChIKeyYBEVWNMKAYESDO-UHFFFAOYSA-N
XLogP3.63
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 8014074
[2-(ethylamino)-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 18080567
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-hydroxybenzoate
CID 7776937
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] benzoate
CID 7514894
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727726
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727824
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 35188381
[2-oxo-2-(pentan-3-ylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727801
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 7968009
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-bromo-4-methoxybenzoate
CID 8875944
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 7260858
[2-[(4-ethylphenyl)methylamino]-2-oxoethyl] 3-methoxybenzoate
CID 46860529

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate?
The IUPAC name of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate (CID 7727719) is [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate.
What is the SMILES notation for [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate?
The canonical SMILES for [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate is COc1cccc(CNC(=O)COC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)c1.
What is the InChIKey of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate?
The InChIKey is YBEVWNMKAYESDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO6/c1-15(25)17-6-8-18(9-7-17)20-10-11-21(30-20)23(27)29-14-22(26)24-13-16-4-3-5-19(12-16)28-2/h3-12H,13-14H2,1-2H3,(H,24,26).
What are the key properties of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate?
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate has a molecular weight of 407.42 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate is sourced from PubChem (CID 7727719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).