N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide

C18H23N3O5 — CID 7652415

IUPACN-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
SMILESCCOc1ccc(CN(C)C(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)cc1
InChIInChI=1S/C18H23N3O5/c1-5-26-14-8-6-13(7-9-14)10-19(4)15(22)11-20-16(23)17(24)21(12(2)3)18(20)25/h6-9,12H,5,10-11H2,1-4H3
InChIKeyVVQJOGJNEGVPGB-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.24
Rot. Bonds7

About N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide

N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide (PubChem CID 7652415) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
PubChem CID7652415
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC NameN-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
SMILESCCOc1ccc(CN(C)C(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)cc1
InChIInChI=1S/C18H23N3O5/c1-5-26-14-8-6-13(7-9-14)10-19(4)15(22)11-20-16(23)17(24)21(12(2)3)18(20)25/h6-9,12H,5,10-11H2,1-4H3
InChIKeyVVQJOGJNEGVPGB-UHFFFAOYSA-N
XLogP1.24
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(4-methylphenyl)methyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7652417
N-benzyl-N-ethyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7652439
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7170093
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8888791
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 8862514
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119266766
4-[(4-ethoxyphenyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497496
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60936656
N-[(4-ethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide
CID 78780749
(2S,4S)-1-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124807886
(2S,4R)-1-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124807885
2-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanylacetic acid
CID 115569435

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide (CID 7652415) is N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide is CCOc1ccc(CN(C)C(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The InChIKey is VVQJOGJNEGVPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-5-26-14-8-6-13(7-9-14)10-19(4)15(22)11-20-16(23)17(24)21(12(2)3)18(20)25/h6-9,12H,5,10-11H2,1-4H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide has a molecular weight of 361.40 g/mol, XLogP of 1.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 7652415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).