ethyl 2-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoacetate

C17H19NO5 — CID 3847451

IUPACethyl 2-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)N(Cc1ccc(OC)cc1)Cc1ccco1
InChIInChI=1S/C17H19NO5/c1-3-22-17(20)16(19)18(12-15-5-4-10-23-15)11-13-6-8-14(21-2)9-7-13/h4-10H,3,11-12H2,1-2H3
InChIKeyYSAYYAIMXGPFHV-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.38
Rot. Bonds6

About ethyl 2-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoacetate

ethyl 2-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoacetate (PubChem CID 3847451) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is ethyl 2-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoacetate
PubChem CID3847451
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Nameethyl 2-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)N(Cc1ccc(OC)cc1)Cc1ccco1
InChIInChI=1S/C17H19NO5/c1-3-22-17(20)16(19)18(12-15-5-4-10-23-15)11-13-6-8-14(21-2)9-7-13/h4-10H,3,11-12H2,1-2H3
InChIKeyYSAYYAIMXGPFHV-UHFFFAOYSA-N
XLogP2.38
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(furan-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 52548109
N-(furan-2-ylmethyl)-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzamide
CID 59260608
diethyl 2-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethylidene]propanedioate
CID 122363253
[4-[[furan-2-ylmethyl-(4-methoxybenzoyl)amino]methyl]phenyl] methanesulfonate
CID 3367007
N-benzyl-2-(4-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 99141396
N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide
CID 52556901
ethyl 3-[furan-2-ylmethyl-[(4-methoxybenzoyl)carbamothioyl]amino]propanoate
CID 3858861
[(2S)-3-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]-2-hydroxypropyl] butanoate
CID 93163907
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 3294592
ethane;ethyl 2-[benzyl-[(4-fluorophenyl)methyl]amino]-2-oxoacetate
CID 169111632
N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 3696608
N-benzyl-N-(furan-2-ylmethyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 37429418

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoacetate (CID 3847451) is ethyl 2-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoacetate is CCOC(=O)C(=O)N(Cc1ccc(OC)cc1)Cc1ccco1.
What is the InChIKey of ethyl 2-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoacetate?
The InChIKey is YSAYYAIMXGPFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-3-22-17(20)16(19)18(12-15-5-4-10-23-15)11-13-6-8-14(21-2)9-7-13/h4-10H,3,11-12H2,1-2H3.
What are the key properties of ethyl 2-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoacetate?
ethyl 2-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoacetate has a molecular weight of 317.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoacetate is sourced from PubChem (CID 3847451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).