2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide

C18H23N3O4 — CID 121119506

IUPAC2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
SMILESCCc1cc(=O)n(CCNC(=O)Cc2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C18H23N3O4/c1-4-14-11-18(23)21(12-20-14)8-7-19-17(22)10-13-5-6-15(24-2)16(9-13)25-3/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,19,22)
InChIKeyXCBINPJFKMECOK-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.18
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide (PubChem CID 121119506) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
PubChem CID121119506
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
SMILESCCc1cc(=O)n(CCNC(=O)Cc2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C18H23N3O4/c1-4-14-11-18(23)21(12-20-14)8-7-19-17(22)10-13-5-6-15(24-2)16(9-13)25-3/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,19,22)
InChIKeyXCBINPJFKMECOK-UHFFFAOYSA-N
XLogP1.18
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 121119868
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 121119799
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-phenylphenoxy)acetamide
CID 121119766
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide
CID 108542599
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide
CID 121119568
2-(2-methoxyphenyl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515649
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 121106541
(E)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 121119594
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methylbenzamide
CID 121119576
N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108575225
2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121119555
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 121064425

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide (CID 121119506) is 2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide is CCc1cc(=O)n(CCNC(=O)Cc2ccc(OC)c(OC)c2)cn1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The InChIKey is XCBINPJFKMECOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-4-14-11-18(23)21(12-20-14)8-7-19-17(22)10-13-5-6-15(24-2)16(9-13)25-3/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,19,22).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide has a molecular weight of 345.40 g/mol, XLogP of 1.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 121119506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).