ethyl 4-[butan-2-yl-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate

C25H34N2O5 — CID 4593818

IUPACethyl 4-[butan-2-yl-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(C)CC
InChIInChI=1S/C25H34N2O5/c1-4-20(3)27(23(28)13-14-25(30)31-5-2)19-24(29)26(18-22-12-9-17-32-22)16-15-21-10-7-6-8-11-21/h6-12,17,20H,4-5,13-16,18-19H2,1-3H3
InChIKeyRSTUWWRUIGUJKC-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.82
Rot. Bonds13

About ethyl 4-[butan-2-yl-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate

ethyl 4-[butan-2-yl-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate (PubChem CID 4593818) has the molecular formula C25H34N2O5 and a molecular weight of 442.56 g/mol. Its IUPAC name is ethyl 4-[butan-2-yl-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[butan-2-yl-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate
PubChem CID4593818
Molecular FormulaC25H34N2O5
Molecular Weight442.56 g/mol
Exact Mass442.25
IUPAC Nameethyl 4-[butan-2-yl-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(C)CC
InChIInChI=1S/C25H34N2O5/c1-4-20(3)27(23(28)13-14-25(30)31-5-2)19-24(29)26(18-22-12-9-17-32-22)16-15-21-10-7-6-8-11-21/h6-12,17,20H,4-5,13-16,18-19H2,1-3H3
InChIKeyRSTUWWRUIGUJKC-UHFFFAOYSA-N
XLogP3.82
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[butan-2-yl-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate with MolForge

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Related Compounds

ethyl 4-[[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate
CID 3661314
N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]butanamide
CID 93109689
2-[[(2S)-butan-2-yl]-(2-chloroacetyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 93109685
2-[acetyl-[(2S)-butan-2-yl]amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 7416543
N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methylpropanamide
CID 7439809
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpentanamide
CID 3907966
ethyl 4-[[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate
CID 4544780
N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methoxybenzamide
CID 93109724
N-butan-2-yl-4-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 5123105
N-[(2S)-butan-2-yl]-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 7412289
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide
CID 3886469
2-[(2-bromophenyl)carbamoyl-butan-2-ylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3624786

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[butan-2-yl-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[butan-2-yl-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate (CID 4593818) is ethyl 4-[butan-2-yl-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[butan-2-yl-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[butan-2-yl-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate is CCOC(=O)CCC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(C)CC.
What is the InChIKey of ethyl 4-[butan-2-yl-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate?
The InChIKey is RSTUWWRUIGUJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O5/c1-4-20(3)27(23(28)13-14-25(30)31-5-2)19-24(29)26(18-22-12-9-17-32-22)16-15-21-10-7-6-8-11-21/h6-12,17,20H,4-5,13-16,18-19H2,1-3H3.
What are the key properties of ethyl 4-[butan-2-yl-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate?
ethyl 4-[butan-2-yl-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate has a molecular weight of 442.56 g/mol, XLogP of 3.82, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[butan-2-yl-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate is sourced from PubChem (CID 4593818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).