3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)-N-prop-2-enylpropanamide

C19H23N3O3 — CID 47082599

IUPAC3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)-N-prop-2-enylpropanamide
SMILESC=CCN(CCc1ccccc1)C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C19H23N3O3/c1-3-12-22(13-11-15-7-5-4-6-8-15)17(23)10-9-16-14(2)20-19(25)21-18(16)24/h3-8H,1,9-13H2,2H3,(H2,20,21,24,25)
InChIKeyOOBANOXATCRNKR-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.56
Rot. Bonds8

About 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)-N-prop-2-enylpropanamide

3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)-N-prop-2-enylpropanamide (PubChem CID 47082599) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)-N-prop-2-enylpropanamide
PubChem CID47082599
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)-N-prop-2-enylpropanamide
SMILESC=CCN(CCc1ccccc1)C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C19H23N3O3/c1-3-12-22(13-11-15-7-5-4-6-8-15)17(23)10-9-16-14(2)20-19(25)21-18(16)24/h3-8H,1,9-13H2,2H3,(H2,20,21,24,25)
InChIKeyOOBANOXATCRNKR-UHFFFAOYSA-N
XLogP1.56
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
CID 119305396
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
CID 30865434
3-amino-N-(2-phenylethyl)-N-prop-2-enylbutanamide
CID 119752351
benzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate
CID 102443361
(2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
CID 119305394
4-[3-[bis(prop-2-enyl)amino]-3-oxopropyl]benzoic acid
CID 82071251
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
2,6-difluoro-N-(2-phenylethyl)-N-prop-2-enylbenzamide
CID 86857535
N-oxido-N-(2-phenylethyl)prop-2-en-1-amine
CID 87692566
N',N'-bis(2-phenylethyl)butanediamide
CID 70184693
N-(3-amino-3-sulfanylidenepropyl)-3-(4-methylphenyl)-N-prop-2-enylpropanamide
CID 82103858
N,N-bis(2-phenylethyl)prop-2-enamide
CID 57066259

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)-N-prop-2-enylpropanamide?
The IUPAC name of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)-N-prop-2-enylpropanamide (CID 47082599) is 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)-N-prop-2-enylpropanamide?
The canonical SMILES for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)-N-prop-2-enylpropanamide is C=CCN(CCc1ccccc1)C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)-N-prop-2-enylpropanamide?
The InChIKey is OOBANOXATCRNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-12-22(13-11-15-7-5-4-6-8-15)17(23)10-9-16-14(2)20-19(25)21-18(16)24/h3-8H,1,9-13H2,2H3,(H2,20,21,24,25).
What are the key properties of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)-N-prop-2-enylpropanamide?
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)-N-prop-2-enylpropanamide has a molecular weight of 341.41 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)-N-prop-2-enylpropanamide is sourced from PubChem (CID 47082599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).