N-[3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide

C24H25N3O3 — CID 103599458

IUPACN-[3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)C(=Cc1ccco1)NC(=O)c1ccccc1
InChIInChI=1S/C24H25N3O3/c1-26(2)20-13-11-18(12-14-20)17-27(3)24(29)22(16-21-10-7-15-30-21)25-23(28)19-8-5-4-6-9-19/h4-16H,17H2,1-3H3,(H,25,28)
InChIKeyGMKCGBAYUDWQDV-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.78
Rot. Bonds7

About N-[3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide

N-[3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 103599458) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
PubChem CID103599458
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)C(=Cc1ccco1)NC(=O)c1ccccc1
InChIInChI=1S/C24H25N3O3/c1-26(2)20-13-11-18(12-14-20)17-27(3)24(29)22(16-21-10-7-15-30-21)25-23(28)19-8-5-4-6-9-19/h4-16H,17H2,1-3H3,(H,25,28)
InChIKeyGMKCGBAYUDWQDV-UHFFFAOYSA-N
XLogP3.78
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[benzyl(butyl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 5226486
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N-[(E)-1-(furan-2-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
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N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenylpropylamino)prop-1-en-2-yl]benzamide
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CID 6946856
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CID 4521478
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CID 3092968
N-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide
CID 5409301
N-[1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide
CID 820382
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-en-2-yl]benzamide
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N-[(E)-1-(furan-2-yl)-3-(2-methoxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide (CID 103599458) is N-[3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide is CN(Cc1ccc(N(C)C)cc1)C(=O)C(=Cc1ccco1)NC(=O)c1ccccc1.
What is the InChIKey of N-[3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is GMKCGBAYUDWQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-26(2)20-13-11-18(12-14-20)17-27(3)24(29)22(16-21-10-7-15-30-21)25-23(28)19-8-5-4-6-9-19/h4-16H,17H2,1-3H3,(H,25,28).
What are the key properties of N-[3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide?
N-[3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 403.48 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 103599458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).