3-[[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]methyl]-N-methylbenzamide

C23H21N3O4 — CID 86942349

IUPAC3-[[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H21N3O4/c1-24-21(27)18-10-5-7-16(13-18)15-25-23(29)20(14-19-11-6-12-30-19)26-22(28)17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H,24,27)(H,25,29)(H,26,28)/b20-14-
InChIKeyZQACEFZEGCDKHM-ZHZULCJRSA-N
MW403.44 g/mol
LogP2.73
Rot. Bonds7

About 3-[[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]methyl]-N-methylbenzamide

3-[[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]methyl]-N-methylbenzamide (PubChem CID 86942349) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 3-[[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]methyl]-N-methylbenzamide
PubChem CID86942349
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name3-[[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H21N3O4/c1-24-21(27)18-10-5-7-16(13-18)15-25-23(29)20(14-19-11-6-12-30-19)26-22(28)17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H,24,27)(H,25,29)(H,26,28)/b20-14-
InChIKeyZQACEFZEGCDKHM-ZHZULCJRSA-N
XLogP2.73
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.73
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-[(Z)-1-(furan-2-yl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methylamino]-3-oxoprop-1-en-2-yl]benzamide
CID 86942587
N-[3-[(4-chlorophenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 4521478
N-[1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
CID 675144
N-[1-(furan-2-yl)-3-oxo-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]prop-1-en-2-yl]benzamide
CID 103599515
N-[(Z)-1-(furan-2-yl)-3-[(4-methylphenyl)methylamino]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2131809
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(3-phenylpropylamino)prop-1-en-2-yl]benzamide
CID 86942198
N-[(Z)-3-[(3,4-dimethoxyphenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide
CID 100556742
N-[1-(furan-2-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 3092968
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenylpropylamino)prop-1-en-2-yl]benzamide
CID 133218762
N-[1-(furan-2-yl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]-3-methoxybenzamide
CID 76532197
N-[(E)-1-(furan-2-yl)-3-(2-methoxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2063946
N-[3-[[3-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-2-hydroxypropyl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 3821366

Frequently Asked Questions

What is the IUPAC name of 3-[[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]methyl]-N-methylbenzamide?
The IUPAC name of 3-[[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]methyl]-N-methylbenzamide (CID 86942349) is 3-[[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 3-[[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]methyl]-N-methylbenzamide is CNC(=O)c1cccc(CNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c1.
What is the InChIKey of 3-[[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]methyl]-N-methylbenzamide?
The InChIKey is ZQACEFZEGCDKHM-ZHZULCJRSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-24-21(27)18-10-5-7-16(13-18)15-25-23(29)20(14-19-11-6-12-30-19)26-22(28)17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H,24,27)(H,25,29)(H,26,28)/b20-14-.
What are the key properties of 3-[[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]methyl]-N-methylbenzamide?
3-[[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]methyl]-N-methylbenzamide has a molecular weight of 403.44 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 86942349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).