N-ethyl-4-[3-[3-(furan-2-yl)prop-2-enoylamino]propanoylamino]benzamide

C19H21N3O4 — CID 55802124

IUPACN-ethyl-4-[3-[3-(furan-2-yl)prop-2-enoylamino]propanoylamino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)CCNC(=O)C=Cc2ccco2)cc1
InChIInChI=1S/C19H21N3O4/c1-2-20-19(25)14-5-7-15(8-6-14)22-18(24)11-12-21-17(23)10-9-16-4-3-13-26-16/h3-10,13H,2,11-12H2,1H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyQQNYJSFMUJJSBZ-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.19
Rot. Bonds8

About N-ethyl-4-[3-[3-(furan-2-yl)prop-2-enoylamino]propanoylamino]benzamide

N-ethyl-4-[3-[3-(furan-2-yl)prop-2-enoylamino]propanoylamino]benzamide (PubChem CID 55802124) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-ethyl-4-[3-[3-(furan-2-yl)prop-2-enoylamino]propanoylamino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[3-[3-(furan-2-yl)prop-2-enoylamino]propanoylamino]benzamide
PubChem CID55802124
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-ethyl-4-[3-[3-(furan-2-yl)prop-2-enoylamino]propanoylamino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)CCNC(=O)C=Cc2ccco2)cc1
InChIInChI=1S/C19H21N3O4/c1-2-20-19(25)14-5-7-15(8-6-14)22-18(24)11-12-21-17(23)10-9-16-4-3-13-26-16/h3-10,13H,2,11-12H2,1H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyQQNYJSFMUJJSBZ-UHFFFAOYSA-N
XLogP2.19
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-fluoro-3-pyridinyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide
CID 75383403
(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 2298592
N-[3-[[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanoylamino]methyl]phenyl]-4-methylbenzamide
CID 55899785
N-[3-(difluoromethoxy)phenyl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide
CID 55742167
4-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino]-4-oxobutanoic acid
CID 19057264
3-(furan-2-yl)-N-hexylprop-2-enamide
CID 3705621
4-[2-[(Z)-3-(furan-2-yl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 92958877
6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-methylhexanamide
CID 59509588
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 9010109
methyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 963838
(E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide
CID 6162293
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
CID 55891984

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-[3-(furan-2-yl)prop-2-enoylamino]propanoylamino]benzamide?
The IUPAC name of N-ethyl-4-[3-[3-(furan-2-yl)prop-2-enoylamino]propanoylamino]benzamide (CID 55802124) is N-ethyl-4-[3-[3-(furan-2-yl)prop-2-enoylamino]propanoylamino]benzamide.
What is the SMILES notation for N-ethyl-4-[3-[3-(furan-2-yl)prop-2-enoylamino]propanoylamino]benzamide?
The canonical SMILES for N-ethyl-4-[3-[3-(furan-2-yl)prop-2-enoylamino]propanoylamino]benzamide is CCNC(=O)c1ccc(NC(=O)CCNC(=O)C=Cc2ccco2)cc1.
What is the InChIKey of N-ethyl-4-[3-[3-(furan-2-yl)prop-2-enoylamino]propanoylamino]benzamide?
The InChIKey is QQNYJSFMUJJSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-2-20-19(25)14-5-7-15(8-6-14)22-18(24)11-12-21-17(23)10-9-16-4-3-13-26-16/h3-10,13H,2,11-12H2,1H3,(H,20,25)(H,21,23)(H,22,24).
What are the key properties of N-ethyl-4-[3-[3-(furan-2-yl)prop-2-enoylamino]propanoylamino]benzamide?
N-ethyl-4-[3-[3-(furan-2-yl)prop-2-enoylamino]propanoylamino]benzamide has a molecular weight of 355.39 g/mol, XLogP of 2.19, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-[3-(furan-2-yl)prop-2-enoylamino]propanoylamino]benzamide is sourced from PubChem (CID 55802124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).