4-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide

C24H23N3O4 — CID 103599554

IUPAC4-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)C(=Cc2ccco2)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H23N3O4/c1-16(2)25-22(28)18-10-12-19(13-11-18)26-24(30)21(15-20-9-6-14-31-20)27-23(29)17-7-4-3-5-8-17/h3-16H,1-2H3,(H,25,28)(H,26,30)(H,27,29)
InChIKeyLWXVFAOUXHUVBT-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.83
Rot. Bonds7

About 4-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide

4-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide (PubChem CID 103599554) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 4-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide
PubChem CID103599554
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name4-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)C(=Cc2ccco2)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H23N3O4/c1-16(2)25-22(28)18-10-12-19(13-11-18)26-24(30)21(15-20-9-6-14-31-20)27-23(29)17-7-4-3-5-8-17/h3-16H,1-2H3,(H,25,28)(H,26,30)(H,27,29)
InChIKeyLWXVFAOUXHUVBT-UHFFFAOYSA-N
XLogP3.83
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.83
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-[(E)-1-(furan-2-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
CID 5344061
N-[1-(furan-2-yl)-3-(4-hydroxyanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 828229
N-[(Z)-3-(4-chloroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 86942191
N-[(Z)-1-(furan-2-yl)-3-(4-methylanilino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 40520569
N-[(Z)-3-(4-butylanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 100500958
N-[(Z)-1-(furan-2-yl)-3-[3-[methyl(propan-2-yl)amino]anilino]-3-oxoprop-1-en-2-yl]benzamide
CID 86942665
methyl 4-[[2-[(4-bromobenzoyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 1352169
N-[(E)-3-(4-chloroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2274338
N-[3-[3-(difluoromethoxy)-4-methoxyanilino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 103599475
4-[[(E)-3-(furan-2-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]benzoic acid
CID 2270500
N-[3-[4-[9-[4-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]fluoren-9-yl]anilino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 71833282
N-[(Z)-1-(furan-2-yl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 100753628

Frequently Asked Questions

What is the IUPAC name of 4-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide (CID 103599554) is 4-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(NC(=O)C(=Cc2ccco2)NC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is LWXVFAOUXHUVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-16(2)25-22(28)18-10-12-19(13-11-18)26-24(30)21(15-20-9-6-14-31-20)27-23(29)17-7-4-3-5-8-17/h3-16H,1-2H3,(H,25,28)(H,26,30)(H,27,29).
What are the key properties of 4-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide?
4-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 417.47 g/mol, XLogP of 3.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 103599554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).