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

C20H25NO4 — CID 21046526

IUPACethyl 2-[methyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1ccc(Cc2c(C)cc(C)cc2C)o1
InChIInChI=1S/C20H25NO4/c1-6-24-19(22)12-21(5)20(23)18-8-7-16(25-18)11-17-14(3)9-13(2)10-15(17)4/h7-10H,6,11-12H2,1-5H3
InChIKeyWLXBXFGQVCXEQE-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.43
Rot. Bonds6

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

ethyl 2-[methyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate (PubChem CID 21046526) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is ethyl 2-[methyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate
PubChem CID21046526
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Nameethyl 2-[methyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1ccc(Cc2c(C)cc(C)cc2C)o1
InChIInChI=1S/C20H25NO4/c1-6-24-19(22)12-21(5)20(23)18-8-7-16(25-18)11-17-14(3)9-13(2)10-15(17)4/h7-10H,6,11-12H2,1-5H3
InChIKeyWLXBXFGQVCXEQE-UHFFFAOYSA-N
XLogP3.43
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[furan-2-ylmethyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]propanoate
CID 21046483
ethyl 2-[2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 21046463
ethyl 2-phenyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate
CID 21046445
ethyl 2-phenyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate;methane
CID 158434674
ethyl 2-[(4-amino-3-fluorobenzoyl)-methylamino]acetate
CID 62680799
N-[(2,6-dimethoxyphenyl)methyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047231
ethyl 4-methyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]pyrimidine-5-carboxylate
CID 21046433
N-(2-amino-2-sulfanylideneethyl)-5-ethyl-N-methylfuran-2-carboxamide
CID 79096678
N-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047779
5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide
CID 81058548
ethyl 2-[(2-hydroxybenzoyl)-methylamino]acetate
CID 60584835
methyl 2-[methyl-(5-methylfuran-2-carbonyl)amino]acetate
CID 43407543

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate (CID 21046526) is ethyl 2-[methyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate is CCOC(=O)CN(C)C(=O)c1ccc(Cc2c(C)cc(C)cc2C)o1.
What is the InChIKey of ethyl 2-[methyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate?
The InChIKey is WLXBXFGQVCXEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-6-24-19(22)12-21(5)20(23)18-8-7-16(25-18)11-17-14(3)9-13(2)10-15(17)4/h7-10H,6,11-12H2,1-5H3.
What are the key properties of ethyl 2-[methyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate?
ethyl 2-[methyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate has a molecular weight of 343.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate is sourced from PubChem (CID 21046526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).