N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-methylimidazol-1-yl)acetamide

C16H20N4O3 — CID 37225028

IUPACN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-methylimidazol-1-yl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)Cn2ccnc2C)c1
InChIInChI=1S/C16H20N4O3/c1-12-17-7-8-20(12)11-16(22)19(2)10-15(21)18-13-5-4-6-14(9-13)23-3/h4-9H,10-11H2,1-3H3,(H,18,21)
InChIKeyUVCFAAOZVOPLGI-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.30
Rot. Bonds6

About N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-methylimidazol-1-yl)acetamide

N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-methylimidazol-1-yl)acetamide (PubChem CID 37225028) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-methylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-methylimidazol-1-yl)acetamide
PubChem CID37225028
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-methylimidazol-1-yl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)Cn2ccnc2C)c1
InChIInChI=1S/C16H20N4O3/c1-12-17-7-8-20(12)11-16(22)19(2)10-15(21)18-13-5-4-6-14(9-13)23-3/h4-9H,10-11H2,1-3H3,(H,18,21)
InChIKeyUVCFAAOZVOPLGI-UHFFFAOYSA-N
XLogP1.30
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 9006710
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
N-(3-methoxyphenyl)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 35041592
N-(3-methoxyphenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
CID 8682208
2-[[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8555605
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 31927837
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918913
2-(2-formylimidazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 62223154
N-(4-methoxyphenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 55028374
N-(3-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 8689446
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3,3-diphenylpropanamide
CID 2594494
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626992

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-methylimidazol-1-yl)acetamide?
The IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-methylimidazol-1-yl)acetamide (CID 37225028) is N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-methylimidazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-methylimidazol-1-yl)acetamide?
The canonical SMILES for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-methylimidazol-1-yl)acetamide is COc1cccc(NC(=O)CN(C)C(=O)Cn2ccnc2C)c1.
What is the InChIKey of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-methylimidazol-1-yl)acetamide?
The InChIKey is UVCFAAOZVOPLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-12-17-7-8-20(12)11-16(22)19(2)10-15(21)18-13-5-4-6-14(9-13)23-3/h4-9H,10-11H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-methylimidazol-1-yl)acetamide?
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-methylimidazol-1-yl)acetamide has a molecular weight of 316.36 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-methylimidazol-1-yl)acetamide is sourced from PubChem (CID 37225028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).