N-(3-ethoxyphenyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide

C16H19N3O4 — CID 154858210

IUPACN-(3-ethoxyphenyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCCOc1cccc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C16H19N3O4/c1-3-23-12-6-4-5-11(9-12)18-14(20)8-7-13-10(2)17-16(22)19-15(13)21/h4-6,9H,3,7-8H2,1-2H3,(H,18,20)(H2,17,19,21,22)
InChIKeyPIRJIAXAYIZPNH-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.34
Rot. Bonds6

About N-(3-ethoxyphenyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide

N-(3-ethoxyphenyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 154858210) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
PubChem CID154858210
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-(3-ethoxyphenyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCCOc1cccc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C16H19N3O4/c1-3-23-12-6-4-5-11(9-12)18-14(20)8-7-13-10(2)17-16(22)19-15(13)21/h4-6,9H,3,7-8H2,1-2H3,(H,18,20)(H2,17,19,21,22)
InChIKeyPIRJIAXAYIZPNH-UHFFFAOYSA-N
XLogP1.34
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 55484737
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]propanamide
CID 55549916
2-ethoxy-N-(3-ethoxyphenyl)acetamide
CID 61062065
6-(3-ethoxyanilino)-6-oxohexanoic acid
CID 54866810
ethyl 7-(3-ethoxyanilino)-7-oxoheptanoate
CID 139378123
N-(3-ethoxyphenyl)-3-oxobutanamide
CID 3532534
3-(3-ethoxyanilino)-3-oxopropanoic acid
CID 62231404
2-anilino-N-(3-ethoxyphenyl)acetamide
CID 54810362
2-(3-ethoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 112977809
N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 38836509
6-amino-N-(3-ethoxyphenyl)-4,4-dimethylhexanamide
CID 65290383
N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 51115082

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-(3-ethoxyphenyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (CID 154858210) is N-(3-ethoxyphenyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(3-ethoxyphenyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is CCOc1cccc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is PIRJIAXAYIZPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-3-23-12-6-4-5-11(9-12)18-14(20)8-7-13-10(2)17-16(22)19-15(13)21/h4-6,9H,3,7-8H2,1-2H3,(H,18,20)(H2,17,19,21,22).
What are the key properties of N-(3-ethoxyphenyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
N-(3-ethoxyphenyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 317.35 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 154858210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).