3-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[(E)-3-phenylprop-2-enyl]propanamide

C18H21N3O3 — CID 50982925

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[(E)-3-phenylprop-2-enyl]propanamide
SMILESCCN(C/C=C/c1ccccc1)C(=O)CCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C18H21N3O3/c1-2-20(12-6-9-15-7-4-3-5-8-15)17(23)11-14-21-13-10-16(22)19-18(21)24/h3-10,13H,2,11-12,14H2,1H3,(H,19,22,24)/b9-6+
InChIKeyBRWWLRGBPYZVFL-RMKNXTFCSA-N
MW327.38 g/mol
LogP1.49
Rot. Bonds7

About 3-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[(E)-3-phenylprop-2-enyl]propanamide

3-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[(E)-3-phenylprop-2-enyl]propanamide (PubChem CID 50982925) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[(E)-3-phenylprop-2-enyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[(E)-3-phenylprop-2-enyl]propanamide
PubChem CID50982925
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[(E)-3-phenylprop-2-enyl]propanamide
SMILESCCN(C/C=C/c1ccccc1)C(=O)CCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C18H21N3O3/c1-2-20(12-6-9-15-7-4-3-5-8-15)17(23)11-14-21-13-10-16(22)19-18(21)24/h3-10,13H,2,11-12,14H2,1H3,(H,19,22,24)/b9-6+
InChIKeyBRWWLRGBPYZVFL-RMKNXTFCSA-N
XLogP1.49
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(1,2-oxazolidin-2-yl)-N-[(E)-3-phenylprop-2-enyl]propanamide
CID 50963327
N-ethyl-3-(1-methyltetrazol-5-yl)sulfanyl-N-[(E)-3-phenylprop-2-enyl]propanamide
CID 46983852
N-ethyl-2-(2-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 46995618
2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]acetic acid
CID 54901429
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 91841784
N,N-diethyl-4-phenylbut-3-enamide
CID 71333088
ethyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-2-phenylacetate
CID 108801666
N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-(3-phenylprop-2-enyl)acetamide
CID 171135111
N-ethyl-2-methyl-N-[(Z)-3-phenylprop-2-enyl]butanamide
CID 122692160
N-ethyl-N-(3-phenylprop-2-enyl)cyclopropanecarboxamide
CID 76600124
N,N-bis[(E)-3-phenylprop-2-enyl]benzamide
CID 139601549
N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]benzamide
CID 130431983

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[(E)-3-phenylprop-2-enyl]propanamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[(E)-3-phenylprop-2-enyl]propanamide (CID 50982925) is 3-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[(E)-3-phenylprop-2-enyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[(E)-3-phenylprop-2-enyl]propanamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[(E)-3-phenylprop-2-enyl]propanamide is CCN(C/C=C/c1ccccc1)C(=O)CCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[(E)-3-phenylprop-2-enyl]propanamide?
The InChIKey is BRWWLRGBPYZVFL-RMKNXTFCSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-2-20(12-6-9-15-7-4-3-5-8-15)17(23)11-14-21-13-10-16(22)19-18(21)24/h3-10,13H,2,11-12,14H2,1H3,(H,19,22,24)/b9-6+.
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[(E)-3-phenylprop-2-enyl]propanamide?
3-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[(E)-3-phenylprop-2-enyl]propanamide has a molecular weight of 327.38 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[(E)-3-phenylprop-2-enyl]propanamide is sourced from PubChem (CID 50982925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).