N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C17H21N3O5 — CID 45280802

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCOc1ccc(CN(C)C(=O)Cn2cc(C)c(=O)[nH]c2=O)cc1OC
InChIInChI=1S/C17H21N3O5/c1-11-8-20(17(23)18-16(11)22)10-15(21)19(2)9-12-5-6-13(24-3)14(7-12)25-4/h5-8H,9-10H2,1-4H3,(H,18,22,23)
InChIKeyUGENSKKMRDPNNE-UHFFFAOYSA-N
MW347.37 g/mol
LogP0.52
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 45280802) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID45280802
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCOc1ccc(CN(C)C(=O)Cn2cc(C)c(=O)[nH]c2=O)cc1OC
InChIInChI=1S/C17H21N3O5/c1-11-8-20(17(23)18-16(11)22)10-15(21)19(2)9-12-5-6-13(24-3)14(7-12)25-4/h5-8H,9-10H2,1-4H3,(H,18,22,23)
InChIKeyUGENSKKMRDPNNE-UHFFFAOYSA-N
XLogP0.52
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 45280802) is N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is COc1ccc(CN(C)C(=O)Cn2cc(C)c(=O)[nH]c2=O)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is UGENSKKMRDPNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-11-8-20(17(23)18-16(11)22)10-15(21)19(2)9-12-5-6-13(24-3)14(7-12)25-4/h5-8H,9-10H2,1-4H3,(H,18,22,23).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 347.37 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 45280802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).