3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide

C20H24N2O5 — CID 55891984

IUPAC3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
SMILESCOCCOc1cc(C)ccc1NC(=O)CCNC(=O)/C=C/c1ccco1
InChIInChI=1S/C20H24N2O5/c1-15-5-7-17(18(14-15)27-13-12-25-2)22-20(24)9-10-21-19(23)8-6-16-4-3-11-26-16/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,21,23)(H,22,24)/b8-6+
InChIKeyFDPOAOVERAMXPW-SOFGYWHQSA-N
MW372.42 g/mol
LogP2.77
Rot. Bonds10

About 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide

3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide (PubChem CID 55891984) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide.

Molecular Properties

Compound Name3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
PubChem CID55891984
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
SMILESCOCCOc1cc(C)ccc1NC(=O)CCNC(=O)/C=C/c1ccco1
InChIInChI=1S/C20H24N2O5/c1-15-5-7-17(18(14-15)27-13-12-25-2)22-20(24)9-10-21-19(23)8-6-16-4-3-11-26-16/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,21,23)(H,22,24)/b8-6+
InChIKeyFDPOAOVERAMXPW-SOFGYWHQSA-N
XLogP2.77
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide 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

(E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide
CID 6162293
(E)-3-(furan-2-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]prop-2-enamide
CID 9482537
(E)-3-(furan-2-yl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide
CID 24533349
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 55616568
N-ethyl-4-[3-[3-(furan-2-yl)prop-2-enoylamino]propanoylamino]benzamide
CID 55802124
N-[3-[[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanoylamino]methyl]phenyl]-4-methylbenzamide
CID 55899785
(E)-N-[2-(3,4-dimethylphenoxy)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 5291630
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119291233
4-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoylamino]butanoic acid
CID 122076970
N-[2-(3-bromophenoxy)ethyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide
CID 55919724
3-(furan-2-yl)-N-[(2-hydroxy-4-methylphenyl)carbamothioyl]prop-2-enamide
CID 884048
N-(6-fluoro-3-pyridinyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide
CID 75383403

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide?
The IUPAC name of 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide (CID 55891984) is 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide.
What is the SMILES notation for 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide?
The canonical SMILES for 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide is COCCOc1cc(C)ccc1NC(=O)CCNC(=O)/C=C/c1ccco1.
What is the InChIKey of 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide?
The InChIKey is FDPOAOVERAMXPW-SOFGYWHQSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-15-5-7-17(18(14-15)27-13-12-25-2)22-20(24)9-10-21-19(23)8-6-16-4-3-11-26-16/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,21,23)(H,22,24)/b8-6+.
What are the key properties of 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide?
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide has a molecular weight of 372.42 g/mol, XLogP of 2.77, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide is sourced from PubChem (CID 55891984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).