N-(4-amino-1,3-dibutyl-2,6-dioxopyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C24H34N4O6 — CID 54528547

IUPACN-(4-amino-1,3-dibutyl-2,6-dioxopyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCCCCn1c(N)c(NC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n(CCCC)c1=O
InChIInChI=1S/C24H34N4O6/c1-6-8-12-27-22(25)20(23(30)28(24(27)31)13-9-7-2)26-19(29)11-10-16-14-17(32-3)21(34-5)18(15-16)33-4/h10-11,14-15H,6-9,12-13,25H2,1-5H3,(H,26,29)
InChIKeyYUWAVBKBYZZWPK-UHFFFAOYSA-N
MW474.56 g/mol
LogP2.87
Rot. Bonds12

About N-(4-amino-1,3-dibutyl-2,6-dioxopyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

N-(4-amino-1,3-dibutyl-2,6-dioxopyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 54528547) has the molecular formula C24H34N4O6 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-(4-amino-1,3-dibutyl-2,6-dioxopyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-amino-1,3-dibutyl-2,6-dioxopyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID54528547
Molecular FormulaC24H34N4O6
Molecular Weight474.56 g/mol
Exact Mass474.25
IUPAC NameN-(4-amino-1,3-dibutyl-2,6-dioxopyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCCCCn1c(N)c(NC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n(CCCC)c1=O
InChIInChI=1S/C24H34N4O6/c1-6-8-12-27-22(25)20(23(30)28(24(27)31)13-9-7-2)26-19(29)11-10-16-14-17(32-3)21(34-5)18(15-16)33-4/h10-11,14-15H,6-9,12-13,25H2,1-5H3,(H,26,29)
InChIKeyYUWAVBKBYZZWPK-UHFFFAOYSA-N
XLogP2.87
TPSA126.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 18915202
N-decyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 75211078
(E)-N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 10406213
N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78566887
(E)-N-[1,3-diethyl-4-(methylamino)-2,6-dioxopyrimidin-5-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 175673353
N-(2,6-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 75618952
N-(cyanomethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 3488907
(E)-N-(3-chloro-2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26198613
N-(4-pyrrolidin-1-ylbutyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 75355316
(E)-3-(3-bromo-4,5-dimethoxyphenyl)-N-hexylprop-2-enamide
CID 19201355
(E)-1-(3,4,5-trimethoxyphenyl)hex-1-en-3-one
CID 14723786
(E)-3-(3,4,5-trimethoxyphenyl)-N-[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359711

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,3-dibutyl-2,6-dioxopyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(4-amino-1,3-dibutyl-2,6-dioxopyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 54528547) is N-(4-amino-1,3-dibutyl-2,6-dioxopyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-amino-1,3-dibutyl-2,6-dioxopyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(4-amino-1,3-dibutyl-2,6-dioxopyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is CCCCn1c(N)c(NC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n(CCCC)c1=O.
What is the InChIKey of N-(4-amino-1,3-dibutyl-2,6-dioxopyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is YUWAVBKBYZZWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O6/c1-6-8-12-27-22(25)20(23(30)28(24(27)31)13-9-7-2)26-19(29)11-10-16-14-17(32-3)21(34-5)18(15-16)33-4/h10-11,14-15H,6-9,12-13,25H2,1-5H3,(H,26,29).
What are the key properties of N-(4-amino-1,3-dibutyl-2,6-dioxopyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
N-(4-amino-1,3-dibutyl-2,6-dioxopyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 474.56 g/mol, XLogP of 2.87, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1,3-dibutyl-2,6-dioxopyrimidin-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 54528547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).