ethyl 3-[furan-2-ylmethyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]propanoate

C25H29NO5 — CID 21046483

IUPACethyl 3-[furan-2-ylmethyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]propanoate
SMILESCCOC(=O)CCN(Cc1ccco1)C(=O)c1ccc(Cc2c(C)cc(C)cc2C)o1
InChIInChI=1S/C25H29NO5/c1-5-29-24(27)10-11-26(16-21-7-6-12-30-21)25(28)23-9-8-20(31-23)15-22-18(3)13-17(2)14-19(22)4/h6-9,12-14H,5,10-11,15-16H2,1-4H3
InChIKeyJLWKYHFUMWYRQP-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.98
Rot. Bonds9

About ethyl 3-[furan-2-ylmethyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]propanoate

ethyl 3-[furan-2-ylmethyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]propanoate (PubChem CID 21046483) has the molecular formula C25H29NO5 and a molecular weight of 423.51 g/mol. Its IUPAC name is ethyl 3-[furan-2-ylmethyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[furan-2-ylmethyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]propanoate
PubChem CID21046483
Molecular FormulaC25H29NO5
Molecular Weight423.51 g/mol
Exact Mass423.20
IUPAC Nameethyl 3-[furan-2-ylmethyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]propanoate
SMILESCCOC(=O)CCN(Cc1ccco1)C(=O)c1ccc(Cc2c(C)cc(C)cc2C)o1
InChIInChI=1S/C25H29NO5/c1-5-29-24(27)10-11-26(16-21-7-6-12-30-21)25(28)23-9-8-20(31-23)15-22-18(3)13-17(2)14-19(22)4/h6-9,12-14H,5,10-11,15-16H2,1-4H3
InChIKeyJLWKYHFUMWYRQP-UHFFFAOYSA-N
XLogP4.98
TPSA72.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[furan-2-ylmethyl-[5-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)methyl]furan-2-carbonyl]amino]propanoate
CID 21046482
ethyl 2-[methyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate
CID 21046526
3-[ethoxycarbonyl(furan-2-ylmethyl)amino]propanoic acid;ethyl 3-[ethoxycarbonyl(furan-2-ylmethyl)amino]propanoate
CID 162128156
ethyl 3-[benzhydrylcarbamothioyl(furan-2-ylmethyl)amino]propanoate
CID 5003649
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
methyl 5-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
CID 62012233
ethyl 3-[(2,5-dimethoxyphenyl)carbamothioyl-(furan-2-ylmethyl)amino]propanoate
CID 3862055
ethyl 3-[(3-cyanophenyl)carbamothioyl-(furan-2-ylmethyl)amino]propanoate
CID 3780932
ethyl 3-[furan-2-ylmethyl-[(4-methoxybenzoyl)carbamothioyl]amino]propanoate
CID 3858861
hydrazinyl 3-[furan-2-ylmethyl(methyl)amino]propanoate
CID 66338395
ethyl 3-[(4-chloro-2,5-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoate
CID 3381227

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[furan-2-ylmethyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]propanoate?
The IUPAC name of ethyl 3-[furan-2-ylmethyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]propanoate (CID 21046483) is ethyl 3-[furan-2-ylmethyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[furan-2-ylmethyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]propanoate?
The canonical SMILES for ethyl 3-[furan-2-ylmethyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]propanoate is CCOC(=O)CCN(Cc1ccco1)C(=O)c1ccc(Cc2c(C)cc(C)cc2C)o1.
What is the InChIKey of ethyl 3-[furan-2-ylmethyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]propanoate?
The InChIKey is JLWKYHFUMWYRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO5/c1-5-29-24(27)10-11-26(16-21-7-6-12-30-21)25(28)23-9-8-20(31-23)15-22-18(3)13-17(2)14-19(22)4/h6-9,12-14H,5,10-11,15-16H2,1-4H3.
What are the key properties of ethyl 3-[furan-2-ylmethyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]propanoate?
ethyl 3-[furan-2-ylmethyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]propanoate has a molecular weight of 423.51 g/mol, XLogP of 4.98, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[furan-2-ylmethyl-[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]propanoate is sourced from PubChem (CID 21046483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).