ethyl 3-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]butanoate

C24H33NO5 — CID 21046378

IUPACethyl 3-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]butanoate
SMILESCCOC(=O)CC(C)NC(=O)c1ccc(Cc2cc(C(C)(C)CC)ccc2OC)o1
InChIInChI=1S/C24H33NO5/c1-7-24(4,5)18-9-11-20(28-6)17(14-18)15-19-10-12-21(30-19)23(27)25-16(3)13-22(26)29-8-2/h9-12,14,16H,7-8,13,15H2,1-6H3,(H,25,27)
InChIKeyYASAXLPYNFGZGD-UHFFFAOYSA-N
MW415.53 g/mol
LogP4.64
Rot. Bonds10

About ethyl 3-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]butanoate

ethyl 3-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]butanoate (PubChem CID 21046378) has the molecular formula C24H33NO5 and a molecular weight of 415.53 g/mol. Its IUPAC name is ethyl 3-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]butanoate
PubChem CID21046378
Molecular FormulaC24H33NO5
Molecular Weight415.53 g/mol
Exact Mass415.24
IUPAC Nameethyl 3-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]butanoate
SMILESCCOC(=O)CC(C)NC(=O)c1ccc(Cc2cc(C(C)(C)CC)ccc2OC)o1
InChIInChI=1S/C24H33NO5/c1-7-24(4,5)18-9-11-20(28-6)17(14-18)15-19-10-12-21(30-19)23(27)25-16(3)13-22(26)29-8-2/h9-12,14,16H,7-8,13,15H2,1-6H3,(H,25,27)
InChIKeyYASAXLPYNFGZGD-UHFFFAOYSA-N
XLogP4.64
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]butanoate with MolForge

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Related Compounds

ethyl 2-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]propanoate
CID 21046381
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 2-[2-[[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 21046465
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
methyl 3-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]butanoate
CID 113219425
methyl 2-[[5-[(5-tert-butyl-2-methylphenyl)methyl]furan-2-carbonyl]amino]-4-methylsulfanylbutanoate
CID 21046594
5-[(2,5-dimethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 21046025

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]butanoate?
The IUPAC name of ethyl 3-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]butanoate (CID 21046378) is ethyl 3-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]butanoate.
What is the SMILES notation for ethyl 3-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]butanoate?
The canonical SMILES for ethyl 3-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]butanoate is CCOC(=O)CC(C)NC(=O)c1ccc(Cc2cc(C(C)(C)CC)ccc2OC)o1.
What is the InChIKey of ethyl 3-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]butanoate?
The InChIKey is YASAXLPYNFGZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO5/c1-7-24(4,5)18-9-11-20(28-6)17(14-18)15-19-10-12-21(30-19)23(27)25-16(3)13-22(26)29-8-2/h9-12,14,16H,7-8,13,15H2,1-6H3,(H,25,27).
What are the key properties of ethyl 3-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]butanoate?
ethyl 3-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]butanoate has a molecular weight of 415.53 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]butanoate is sourced from PubChem (CID 21046378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).