[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate

C24H23NO6 — CID 8950966

IUPAC[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
SMILESCCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1
InChIInChI=1S/C24H23NO6/c1-4-29-21-8-6-5-7-19(21)25-23(27)16(3)30-24(28)22-14-13-20(31-22)18-11-9-17(10-12-18)15(2)26/h5-14,16H,4H2,1-3H3,(H,25,27)/t16-/m0/s1
InChIKeyYWKFOEQDZZYQHC-INIZCTEOSA-N
MW421.45 g/mol
LogP4.73
Rot. Bonds8

About [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate

[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate (PubChem CID 8950966) has the molecular formula C24H23NO6 and a molecular weight of 421.45 g/mol. Its IUPAC name is [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
PubChem CID8950966
Molecular FormulaC24H23NO6
Molecular Weight421.45 g/mol
Exact Mass421.15
IUPAC Name[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
SMILESCCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1
InChIInChI=1S/C24H23NO6/c1-4-29-21-8-6-5-7-19(21)25-23(27)16(3)30-24(28)22-14-13-20(31-22)18-11-9-17(10-12-18)15(2)26/h5-14,16H,4H2,1-3H3,(H,25,27)/t16-/m0/s1
InChIKeyYWKFOEQDZZYQHC-INIZCTEOSA-N
XLogP4.73
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 8950941
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 4103293
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727900
[1-(cycloheptylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 18091724
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 8951023
(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-ethoxyphenyl)propanamide
CID 8730577
[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-(piperidin-1-ylmethyl)benzoate
CID 27110204
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 2629891
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate
CID 55425061
[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] thiophene-3-carboxylate
CID 9383460
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 46624598
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 43015008

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate?
The IUPAC name of [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate (CID 8950966) is [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate.
What is the SMILES notation for [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate?
The canonical SMILES for [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate is CCOc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1.
What is the InChIKey of [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate?
The InChIKey is YWKFOEQDZZYQHC-INIZCTEOSA-N. The full InChI is InChI=1S/C24H23NO6/c1-4-29-21-8-6-5-7-19(21)25-23(27)16(3)30-24(28)22-14-13-20(31-22)18-11-9-17(10-12-18)15(2)26/h5-14,16H,4H2,1-3H3,(H,25,27)/t16-/m0/s1.
What are the key properties of [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate?
[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate has a molecular weight of 421.45 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 5-(4-acetylphenyl)furan-2-carboxylate is sourced from PubChem (CID 8950966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).