2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide

C16H19N3O4 — CID 5176535

IUPAC2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1C(=O)NC(C)(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C16H19N3O4/c1-4-9-17-13(20)10-19-14(21)16(2,18-15(19)22)11-5-7-12(23-3)8-6-11/h4-8H,1,9-10H2,2-3H3,(H,17,20)(H,18,22)
InChIKeyQCTANTWHOVNYOI-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.76
Rot. Bonds6

About 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide

2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide (PubChem CID 5176535) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide
PubChem CID5176535
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1C(=O)NC(C)(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C16H19N3O4/c1-4-9-17-13(20)10-19-14(21)16(2,18-15(19)22)11-5-7-12(23-3)8-6-11/h4-8H,1,9-10H2,2-3H3,(H,17,20)(H,18,22)
InChIKeyQCTANTWHOVNYOI-UHFFFAOYSA-N
XLogP0.76
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ambucetamide
CID 10616
Hydantoin, 5-(p-isopentoxyphenyl)-5-methyl-
CID 2835307
5-(4-Butoxyphenyl)-5-methyl-2,4-imidazolidinedione
CID 50211
5-(4-Methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 211351
5-(4-Butoxyphenyl)-2-hydroxy-3,5-dimethyl-3,5-dihydro-4H-imidazol-4-one
CID 3077547
N-[(4-methoxyphenyl)(2-phenylacetamido)methyl]-2-phenylacetamide
CID 991033
5,5-Bis(4-methoxyphenyl)imidazolidine-2,4-dione
CID 2339366
5-(3,4-Dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 3559619
4-Hydroxymephenytoin
CID 119507
5-(4-Isopropoxy-phenyl)-imidazolidine-2,4-dione
CID 578335
Hydantoin, 5-(p-isopropoxyphenyl)-5-methyl-
CID 3052153
4-Hydroxymephenytoin, (S)-
CID 40572060

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide (CID 5176535) is 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1C(=O)NC(C)(c2ccc(OC)cc2)C1=O.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is QCTANTWHOVNYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-4-9-17-13(20)10-19-14(21)16(2,18-15(19)22)11-5-7-12(23-3)8-6-11/h4-8H,1,9-10H2,2-3H3,(H,17,20)(H,18,22).
What are the key properties of 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide?
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 317.35 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 5176535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).