N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide

C18H23N3O4 — CID 33142765

IUPACN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCCOc1ccc([C@H](C)NC(=O)Cn2cccnc2=O)cc1OCC
InChIInChI=1S/C18H23N3O4/c1-4-24-15-8-7-14(11-16(15)25-5-2)13(3)20-17(22)12-21-10-6-9-19-18(21)23/h6-11,13H,4-5,12H2,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeyXLDURBPTHYYCDE-ZDUSSCGKSA-N
MW345.40 g/mol
LogP1.92
Rot. Bonds8

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

N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 33142765) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID33142765
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCCOc1ccc([C@H](C)NC(=O)Cn2cccnc2=O)cc1OCC
InChIInChI=1S/C18H23N3O4/c1-4-24-15-8-7-14(11-16(15)25-5-2)13(3)20-17(22)12-21-10-6-9-19-18(21)23/h6-11,13H,4-5,12H2,1-3H3,(H,20,22)/t13-/m0/s1
InChIKeyXLDURBPTHYYCDE-ZDUSSCGKSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide (CID 33142765) is N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide is CCOc1ccc([C@H](C)NC(=O)Cn2cccnc2=O)cc1OCC.
What is the InChIKey of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is XLDURBPTHYYCDE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-4-24-15-8-7-14(11-16(15)25-5-2)13(3)20-17(22)12-21-10-6-9-19-18(21)23/h6-11,13H,4-5,12H2,1-3H3,(H,20,22)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide?
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 345.40 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 33142765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).