methyl 3-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-methylphenyl)propanoate

C19H22N2O5 — CID 55440381

IUPACmethyl 3-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-methylphenyl)propanoate
SMILESCOC(=O)CC(NC(=O)CCNC(=O)c1ccco1)c1ccc(C)cc1
InChIInChI=1S/C19H22N2O5/c1-13-5-7-14(8-6-13)15(12-18(23)25-2)21-17(22)9-10-20-19(24)16-4-3-11-26-16/h3-8,11,15H,9-10,12H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyGPCCMRYXQJEHNW-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.13
Rot. Bonds8

About methyl 3-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-methylphenyl)propanoate

methyl 3-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-methylphenyl)propanoate (PubChem CID 55440381) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is methyl 3-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-methylphenyl)propanoate
PubChem CID55440381
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Namemethyl 3-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-methylphenyl)propanoate
SMILESCOC(=O)CC(NC(=O)CCNC(=O)c1ccco1)c1ccc(C)cc1
InChIInChI=1S/C19H22N2O5/c1-13-5-7-14(8-6-13)15(12-18(23)25-2)21-17(22)9-10-20-19(24)16-4-3-11-26-16/h3-8,11,15H,9-10,12H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyGPCCMRYXQJEHNW-UHFFFAOYSA-N
XLogP2.13
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-methylphenyl)propanoate 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

N-[3-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 110004386
3-[3-(furan-2-carbonylamino)propanoylamino]butanoic acid
CID 43172663
methyl (3R)-3-(3-acetamidopropanoylamino)-3-phenylpropanoate
CID 101427292
2-[3-(furan-2-carbonylamino)propanoylamino]-4-methoxybutanoic acid
CID 62479824
N-[3-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 43031477
N-[4-[1-(4-bromophenyl)propylamino]-4-oxobutyl]furan-2-carboxamide
CID 43022777
methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]-3-(4-methylphenyl)propanoate
CID 42920468
N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]furan-2-carboxamide
CID 43049335
N-[3-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 25479336
ethyl 3-(4-methylphenyl)-3-(3-phenylpropanoylamino)propanoate
CID 5010923
ethyl 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoate
CID 3541433
methyl (2R)-2-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-hydroxyphenyl)propanoate
CID 9404731

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-methylphenyl)propanoate?
The IUPAC name of methyl 3-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-methylphenyl)propanoate (CID 55440381) is methyl 3-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-methylphenyl)propanoate.
What is the SMILES notation for methyl 3-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-methylphenyl)propanoate?
The canonical SMILES for methyl 3-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-methylphenyl)propanoate is COC(=O)CC(NC(=O)CCNC(=O)c1ccco1)c1ccc(C)cc1.
What is the InChIKey of methyl 3-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-methylphenyl)propanoate?
The InChIKey is GPCCMRYXQJEHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-13-5-7-14(8-6-13)15(12-18(23)25-2)21-17(22)9-10-20-19(24)16-4-3-11-26-16/h3-8,11,15H,9-10,12H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of methyl 3-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-methylphenyl)propanoate?
methyl 3-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-methylphenyl)propanoate has a molecular weight of 358.39 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(furan-2-carbonylamino)propanoylamino]-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 55440381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).