(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[(1S)-2-methyl-1-phenylpropyl]prop-2-enamide

C19H23N3O3 — CID 31356770

IUPAC(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[(1S)-2-methyl-1-phenylpropyl]prop-2-enamide
SMILESCC(C)[C@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-13(2)17(14-8-6-5-7-9-14)20-16(23)11-10-15-12-21(3)19(25)22(4)18(15)24/h5-13,17H,1-4H3,(H,20,23)/b11-10+/t17-/m0/s1
InChIKeyIJKAEJVBHOYASV-DVQDXYAYSA-N
MW341.41 g/mol
LogP1.61
Rot. Bonds5

About (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[(1S)-2-methyl-1-phenylpropyl]prop-2-enamide

(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[(1S)-2-methyl-1-phenylpropyl]prop-2-enamide (PubChem CID 31356770) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[(1S)-2-methyl-1-phenylpropyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[(1S)-2-methyl-1-phenylpropyl]prop-2-enamide
PubChem CID31356770
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[(1S)-2-methyl-1-phenylpropyl]prop-2-enamide
SMILESCC(C)[C@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-13(2)17(14-8-6-5-7-9-14)20-16(23)11-10-15-12-21(3)19(25)22(4)18(15)24/h5-13,17H,1-4H3,(H,20,23)/b11-10+/t17-/m0/s1
InChIKeyIJKAEJVBHOYASV-DVQDXYAYSA-N
XLogP1.61
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)prop-2-enamide
CID 17491136
(E)-N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide
CID 46534578
(E)-N-[2-(diethylamino)-3-phenylpropyl]-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide
CID 134063104
(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 46531858
(E)-N-(1-adamantyl)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide
CID 33217316
2-methylpropyl (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoate
CID 14442515
(E)-N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide
CID 52711627
(2-oxo-1-phenyl-2-piperidin-1-ylethyl) (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoate
CID 24579228
(E)-N-(2-methyl-1-phenylpropyl)-3-quinoxalin-2-ylprop-2-enamide
CID 78813722
(E)-N-[(4-chlorophenyl)methyl]-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide
CID 42153438
(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]prop-2-enamide
CID 33262160
(E)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide
CID 46545571

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[(1S)-2-methyl-1-phenylpropyl]prop-2-enamide?
The IUPAC name of (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[(1S)-2-methyl-1-phenylpropyl]prop-2-enamide (CID 31356770) is (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[(1S)-2-methyl-1-phenylpropyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[(1S)-2-methyl-1-phenylpropyl]prop-2-enamide?
The canonical SMILES for (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[(1S)-2-methyl-1-phenylpropyl]prop-2-enamide is CC(C)[C@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1ccccc1.
What is the InChIKey of (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[(1S)-2-methyl-1-phenylpropyl]prop-2-enamide?
The InChIKey is IJKAEJVBHOYASV-DVQDXYAYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13(2)17(14-8-6-5-7-9-14)20-16(23)11-10-15-12-21(3)19(25)22(4)18(15)24/h5-13,17H,1-4H3,(H,20,23)/b11-10+/t17-/m0/s1.
What are the key properties of (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[(1S)-2-methyl-1-phenylpropyl]prop-2-enamide?
(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[(1S)-2-methyl-1-phenylpropyl]prop-2-enamide has a molecular weight of 341.41 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[(1S)-2-methyl-1-phenylpropyl]prop-2-enamide is sourced from PubChem (CID 31356770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).