ethyl 2-phenyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate;methane

C26H31NO4 — CID 158434674

IUPACethyl 2-phenyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate;methane
SMILESC.CCOC(=O)C(NC(=O)c1ccc(Cc2c(C)cc(C)cc2C)o1)c1ccccc1
InChIInChI=1S/C25H27NO4.CH4/c1-5-29-25(28)23(19-9-7-6-8-10-19)26-24(27)22-12-11-20(30-22)15-21-17(3)13-16(2)14-18(21)4;/h6-14,23H,5,15H2,1-4H3,(H,26,27);1H4
InChIKeyHCBSRDUIRYJEFN-UHFFFAOYSA-N
MW421.54 g/mol
LogP5.47
Rot. Bonds7

About ethyl 2-phenyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate;methane

ethyl 2-phenyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate;methane (PubChem CID 158434674) has the molecular formula C26H31NO4 and a molecular weight of 421.54 g/mol. Its IUPAC name is ethyl 2-phenyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate;methane.

Molecular Properties

Compound Nameethyl 2-phenyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate;methane
PubChem CID158434674
Molecular FormulaC26H31NO4
Molecular Weight421.54 g/mol
Exact Mass421.23
IUPAC Nameethyl 2-phenyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate;methane
SMILESC.CCOC(=O)C(NC(=O)c1ccc(Cc2c(C)cc(C)cc2C)o1)c1ccccc1
InChIInChI=1S/C25H27NO4.CH4/c1-5-29-25(28)23(19-9-7-6-8-10-19)26-24(27)22-12-11-20(30-22)15-21-17(3)13-16(2)14-18(21)4;/h6-14,23H,5,15H2,1-4H3,(H,26,27);1H4
InChIKeyHCBSRDUIRYJEFN-UHFFFAOYSA-N
XLogP5.47
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-phenyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate;methane with MolForge

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Related Compounds

ethyl 2-phenyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate
CID 21046445
ethyl (2S)-2-[[5-[(5-tert-butyl-2-methylphenyl)methyl]furan-2-carbonyl]amino]-2-phenylacetate;methane
CID 158873821
ethyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate
CID 108804015
methyl (2S)-4-methyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]pentanoate
CID 58696904
methyl (2R)-2-[[5-[(5-tert-butyl-2-methylphenyl)methyl]furan-2-carbonyl]amino]-2-phenylacetate
CID 58696995
(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-2-phenylacetic acid
CID 61143786
ethyl 4-methyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]pyrimidine-5-carboxylate
CID 21046433
N-(2-hydroxy-6-methylphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047427
methyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate
CID 62111371
N-[(2,6-dimethoxyphenyl)methyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047231
methyl 2-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]-2-phenylacetate
CID 21046653
ethyl 2-benzamido-2-(2,4,6-trimethylphenyl)acetate
CID 72736950

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate;methane?
The IUPAC name of ethyl 2-phenyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate;methane (CID 158434674) is ethyl 2-phenyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate;methane.
What is the SMILES notation for ethyl 2-phenyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate;methane?
The canonical SMILES for ethyl 2-phenyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate;methane is C.CCOC(=O)C(NC(=O)c1ccc(Cc2c(C)cc(C)cc2C)o1)c1ccccc1.
What is the InChIKey of ethyl 2-phenyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate;methane?
The InChIKey is HCBSRDUIRYJEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4.CH4/c1-5-29-25(28)23(19-9-7-6-8-10-19)26-24(27)22-12-11-20(30-22)15-21-17(3)13-16(2)14-18(21)4;/h6-14,23H,5,15H2,1-4H3,(H,26,27);1H4.
What are the key properties of ethyl 2-phenyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate;methane?
ethyl 2-phenyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate;methane has a molecular weight of 421.54 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate;methane is sourced from PubChem (CID 158434674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).