N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methylacetamide

C18H23N3O6 — CID 9341899

IUPACN-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methylacetamide
SMILESCCN1C(=O)C(=O)N(CC(=O)N(C)Cc2cc(OC)c(OC)cc2C)C1=O
InChIInChI=1S/C18H23N3O6/c1-6-20-16(23)17(24)21(18(20)25)10-15(22)19(3)9-12-8-14(27-5)13(26-4)7-11(12)2/h7-8H,6,9-10H2,1-5H3
InChIKeyUIASGNIMBLCOKF-UHFFFAOYSA-N
MW377.40 g/mol
LogP0.78
Rot. Bonds7

About N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methylacetamide

N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methylacetamide (PubChem CID 9341899) has the molecular formula C18H23N3O6 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methylacetamide
PubChem CID9341899
Molecular FormulaC18H23N3O6
Molecular Weight377.40 g/mol
Exact Mass377.16
IUPAC NameN-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methylacetamide
SMILESCCN1C(=O)C(=O)N(CC(=O)N(C)Cc2cc(OC)c(OC)cc2C)C1=O
InChIInChI=1S/C18H23N3O6/c1-6-20-16(23)17(24)21(18(20)25)10-15(22)19(3)9-12-8-14(27-5)13(26-4)7-11(12)2/h7-8H,6,9-10H2,1-5H3
InChIKeyUIASGNIMBLCOKF-UHFFFAOYSA-N
XLogP0.78
TPSA96.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
CID 115151637
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 9401096
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8809788
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methylacetamide
CID 9277247
(3R)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-4,4,4-trifluoro-3-hydroxy-N,3-dimethylbutanamide
CID 9084962
4-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559279
N-[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-2-methylbutanamide
CID 87039821
tert-butyl N-[3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-3-oxopropyl]carbamate
CID 9277344
3-amino-1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methylurea
CID 115192794
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
CID 9084976
tert-butyl N-[4-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-4-oxobutyl]carbamate
CID 9277255
2-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 8683587

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methylacetamide?
The IUPAC name of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methylacetamide (CID 9341899) is N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methylacetamide is CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2cc(OC)c(OC)cc2C)C1=O.
What is the InChIKey of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methylacetamide?
The InChIKey is UIASGNIMBLCOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6/c1-6-20-16(23)17(24)21(18(20)25)10-15(22)19(3)9-12-8-14(27-5)13(26-4)7-11(12)2/h7-8H,6,9-10H2,1-5H3.
What are the key properties of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methylacetamide?
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methylacetamide has a molecular weight of 377.40 g/mol, XLogP of 0.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 9341899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).