ethyl 4-[[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate

C24H32N2O5 — CID 3661314

IUPACethyl 4-[[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(C)C
InChIInChI=1S/C24H32N2O5/c1-4-30-24(29)13-12-22(27)26(19(2)3)18-23(28)25(17-21-11-8-16-31-21)15-14-20-9-6-5-7-10-20/h5-11,16,19H,4,12-15,17-18H2,1-3H3
InChIKeyHNNHOMNOTPCEHJ-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.43
Rot. Bonds12

About ethyl 4-[[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate

ethyl 4-[[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate (PubChem CID 3661314) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is ethyl 4-[[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate
PubChem CID3661314
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC Nameethyl 4-[[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(C)C
InChIInChI=1S/C24H32N2O5/c1-4-30-24(29)13-12-22(27)26(19(2)3)18-23(28)25(17-21-11-8-16-31-21)15-14-20-9-6-5-7-10-20/h5-11,16,19H,4,12-15,17-18H2,1-3H3
InChIKeyHNNHOMNOTPCEHJ-UHFFFAOYSA-N
XLogP3.43
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

ethyl 4-[butan-2-yl-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]amino]-4-oxobutanoate
CID 4593818
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
2-[dimethylcarbamoyl(propan-2-yl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 42772862
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide
CID 3886469
N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]butanamide
CID 93109689
2-[ethylcarbamoyl(propan-2-yl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3303981
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
2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3911221
2-[[(2S)-butan-2-yl]-(2-chloroacetyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 93109685
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
CID 3597779

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate (CID 3661314) is ethyl 4-[[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate is CCOC(=O)CCC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(C)C.
What is the InChIKey of ethyl 4-[[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate?
The InChIKey is HNNHOMNOTPCEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5/c1-4-30-24(29)13-12-22(27)26(19(2)3)18-23(28)25(17-21-11-8-16-31-21)15-14-20-9-6-5-7-10-20/h5-11,16,19H,4,12-15,17-18H2,1-3H3.
What are the key properties of ethyl 4-[[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate?
ethyl 4-[[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate has a molecular weight of 428.53 g/mol, XLogP of 3.43, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate is sourced from PubChem (CID 3661314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).