3-[[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]amino]-N,N-diethylbenzamide

C20H24N4O4 — CID 33225368

IUPAC3-[[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c1
InChIInChI=1S/C20H24N4O4/c1-5-24(6-2)19(27)14-8-7-9-16(12-14)21-17(25)11-10-15-13-22(3)20(28)23(4)18(15)26/h7-13H,5-6H2,1-4H3,(H,21,25)/b11-10+
InChIKeySUBCDANMJSUPGH-ZHACJKMWSA-N
MW384.44 g/mol
LogP1.22
Rot. Bonds6

About 3-[[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]amino]-N,N-diethylbenzamide

3-[[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]amino]-N,N-diethylbenzamide (PubChem CID 33225368) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-[[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]amino]-N,N-diethylbenzamide
PubChem CID33225368
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name3-[[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c1
InChIInChI=1S/C20H24N4O4/c1-5-24(6-2)19(27)14-8-7-9-16(12-14)21-17(25)11-10-15-13-22(3)20(28)23(4)18(15)26/h7-13H,5-6H2,1-4H3,(H,21,25)/b11-10+
InChIKeySUBCDANMJSUPGH-ZHACJKMWSA-N
XLogP1.22
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3-acetylphenyl)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide
CID 33219428
(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[3-(methoxymethyl)phenyl]prop-2-enamide
CID 33101063
(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 33248445
N,N-diethyl-3-(prop-2-enoylamino)benzamide
CID 43616413
N,N-diethyl-3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]benzamide
CID 26712685
N-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)benzamide
CID 141125198
3-[(3-chloro-2,2-dimethylpropanoyl)amino]-N,N-diethylbenzamide
CID 63680145
N-(1,3-dihydro-2-benzofuran-5-yl)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide
CID 136519483
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
N,N-diethyl-3-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]benzamide
CID 17194962
(E)-N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide
CID 52711627
3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N,N-diethylbenzamide
CID 17194880

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 3-[[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]amino]-N,N-diethylbenzamide (CID 33225368) is 3-[[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c1.
What is the InChIKey of 3-[[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]amino]-N,N-diethylbenzamide?
The InChIKey is SUBCDANMJSUPGH-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-5-24(6-2)19(27)14-8-7-9-16(12-14)21-17(25)11-10-15-13-22(3)20(28)23(4)18(15)26/h7-13H,5-6H2,1-4H3,(H,21,25)/b11-10+.
What are the key properties of 3-[[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]amino]-N,N-diethylbenzamide?
3-[[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]amino]-N,N-diethylbenzamide has a molecular weight of 384.44 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 33225368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).