ethyl 2-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]propanoate

C23H31NO5 — CID 21046381

IUPACethyl 2-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1ccc(Cc2cc(C(C)(C)CC)ccc2OC)o1
InChIInChI=1S/C23H31NO5/c1-7-23(4,5)17-9-11-19(27-6)16(13-17)14-18-10-12-20(29-18)21(25)24-15(3)22(26)28-8-2/h9-13,15H,7-8,14H2,1-6H3,(H,24,25)
InChIKeyKADFHJDKROLGPZ-UHFFFAOYSA-N
MW401.50 g/mol
LogP4.25
Rot. Bonds9

About ethyl 2-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]propanoate

ethyl 2-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]propanoate (PubChem CID 21046381) has the molecular formula C23H31NO5 and a molecular weight of 401.50 g/mol. Its IUPAC name is ethyl 2-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]propanoate
PubChem CID21046381
Molecular FormulaC23H31NO5
Molecular Weight401.50 g/mol
Exact Mass401.22
IUPAC Nameethyl 2-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1ccc(Cc2cc(C(C)(C)CC)ccc2OC)o1
InChIInChI=1S/C23H31NO5/c1-7-23(4,5)17-9-11-19(27-6)16(13-17)14-18-10-12-20(29-18)21(25)24-15(3)22(26)28-8-2/h9-13,15H,7-8,14H2,1-6H3,(H,24,25)
InChIKeyKADFHJDKROLGPZ-UHFFFAOYSA-N
XLogP4.25
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]propanoate with MolForge

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Related Compounds

ethyl 3-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]butanoate
CID 21046378
methyl 2-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]-2-phenylacetate
CID 21046653
5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 21046228
5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[2-(2-methoxyphenyl)ethyl]furan-2-carboxamide
CID 21046209
N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carboxamide
CID 21046909
ethyl (2S)-2-[[5-[(5-tert-butyl-2-methylphenyl)methyl]furan-2-carbonyl]amino]-2-phenylacetate;methane
CID 158873821
methyl (2R)-2-[[5-[(5-tert-butyl-2-methylphenyl)methyl]furan-2-carbonyl]amino]-2-phenylacetate
CID 58696995
2-amino-3-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid
CID 3935984
ethyl 2-[[5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carbonyl]amino]propanoate
CID 21046503
methyl 2-[[5-[(5-tert-butyl-2-methylphenyl)methyl]furan-2-carbonyl]amino]-4-methylsulfanylbutanoate
CID 21046594
ethyl 2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]propanoate
CID 47368271
5-[(2,5-dimethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 21046025

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]propanoate?
The IUPAC name of ethyl 2-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]propanoate (CID 21046381) is ethyl 2-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]propanoate is CCOC(=O)C(C)NC(=O)c1ccc(Cc2cc(C(C)(C)CC)ccc2OC)o1.
What is the InChIKey of ethyl 2-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]propanoate?
The InChIKey is KADFHJDKROLGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO5/c1-7-23(4,5)17-9-11-19(27-6)16(13-17)14-18-10-12-20(29-18)21(25)24-15(3)22(26)28-8-2/h9-13,15H,7-8,14H2,1-6H3,(H,24,25).
What are the key properties of ethyl 2-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]propanoate?
ethyl 2-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]propanoate has a molecular weight of 401.50 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]propanoate is sourced from PubChem (CID 21046381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).