2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide

C23H25N3O4 — CID 112817041

IUPAC2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C23H25N3O4/c1-3-24(15-19-9-11-20(30-2)12-10-19)22(28)17-26-21(27)13-14-25(23(26)29)16-18-7-5-4-6-8-18/h4-14H,3,15-17H2,1-2H3
InChIKeyKIISWTGAUBBBPB-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.12
Rot. Bonds8

About 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide

2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 112817041) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID112817041
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C23H25N3O4/c1-3-24(15-19-9-11-20(30-2)12-10-19)22(28)17-26-21(27)13-14-25(23(26)29)16-18-7-5-4-6-8-18/h4-14H,3,15-17H2,1-2H3
InChIKeyKIISWTGAUBBBPB-UHFFFAOYSA-N
XLogP2.12
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide (CID 112817041) is 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide is CCN(Cc1ccc(OC)cc1)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O.
What is the InChIKey of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is KIISWTGAUBBBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-3-24(15-19-9-11-20(30-2)12-10-19)22(28)17-26-21(27)13-14-25(23(26)29)16-18-7-5-4-6-8-18/h4-14H,3,15-17H2,1-2H3.
What are the key properties of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide?
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 407.47 g/mol, XLogP of 2.12, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 112817041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).