3-[2-(ethylamino)ethyl]-5-methylidenephosphanyl-5-phenylimidazolidine-2,4-dione

C14H18N3O2P — CID 91058724

IUPAC3-[2-(ethylamino)ethyl]-5-methylidenephosphanyl-5-phenylimidazolidine-2,4-dione
SMILESC=PC1(c2ccccc2)NC(=O)N(CCNCC)C1=O
InChIInChI=1S/C14H18N3O2P/c1-3-15-9-10-17-12(18)14(20-2,16-13(17)19)11-7-5-4-6-8-11/h4-8,15H,2-3,9-10H2,1H3,(H,16,19)
InChIKeyNDPZVSXOTOTOJX-UHFFFAOYSA-N
MW291.29 g/mol
LogP1.38
Rot. Bonds6

About 3-[2-(ethylamino)ethyl]-5-methylidenephosphanyl-5-phenylimidazolidine-2,4-dione

3-[2-(ethylamino)ethyl]-5-methylidenephosphanyl-5-phenylimidazolidine-2,4-dione (PubChem CID 91058724) has the molecular formula C14H18N3O2P and a molecular weight of 291.29 g/mol. Its IUPAC name is 3-[2-(ethylamino)ethyl]-5-methylidenephosphanyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(ethylamino)ethyl]-5-methylidenephosphanyl-5-phenylimidazolidine-2,4-dione
PubChem CID91058724
Molecular FormulaC14H18N3O2P
Molecular Weight291.29 g/mol
Exact Mass291.11
IUPAC Name3-[2-(ethylamino)ethyl]-5-methylidenephosphanyl-5-phenylimidazolidine-2,4-dione
SMILESC=PC1(c2ccccc2)NC(=O)N(CCNCC)C1=O
InChIInChI=1S/C14H18N3O2P/c1-3-15-9-10-17-12(18)14(20-2,16-13(17)19)11-7-5-4-6-8-11/h4-8,15H,2-3,9-10H2,1H3,(H,16,19)
InChIKeyNDPZVSXOTOTOJX-UHFFFAOYSA-N
XLogP1.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-(ethylamino)ethyl]-5-methylidenephosphanyl-5-phenylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methylidenephosphanyl-3-[2-(methylsulfanylamino)ethyl]-5-phenylimidazolidine-2,4-dione
CID 91488886
3-[2-(ethylamino)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 61387578
5,5-diphenyl-3-[2-(propan-2-ylamino)ethyl]imidazolidine-2,4-dione
CID 129132203
1-[2-(tert-butylamino)ethyl]-4-methyl-5-methylidene-4-phenylimidazolidin-2-one
CID 157416563
3-decyl-5,5-diphenylimidazolidine-2,4-dione
CID 11696827
3-hexyl-5,5-diphenylimidazolidine-2,4-dione
CID 24860362
5,5-dimethyl-3-[2-(propylamino)ethyl]imidazolidine-2,4-dione
CID 61387575
3-[2-(benzylamino)ethyl]-5-methyl-5-phenyl-1,3-thiazolidine-2,4-dione;hydrobromide
CID 20525394
5-methyl-3-(2-phenylethyl)-5-pyridin-4-ylimidazolidine-2,4-dione
CID 110226505
3-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanenitrile
CID 7595269
(5S)-5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione
CID 45095321
3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4826856

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)ethyl]-5-methylidenephosphanyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(ethylamino)ethyl]-5-methylidenephosphanyl-5-phenylimidazolidine-2,4-dione (CID 91058724) is 3-[2-(ethylamino)ethyl]-5-methylidenephosphanyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(ethylamino)ethyl]-5-methylidenephosphanyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(ethylamino)ethyl]-5-methylidenephosphanyl-5-phenylimidazolidine-2,4-dione is C=PC1(c2ccccc2)NC(=O)N(CCNCC)C1=O.
What is the InChIKey of 3-[2-(ethylamino)ethyl]-5-methylidenephosphanyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is NDPZVSXOTOTOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N3O2P/c1-3-15-9-10-17-12(18)14(20-2,16-13(17)19)11-7-5-4-6-8-11/h4-8,15H,2-3,9-10H2,1H3,(H,16,19).
What are the key properties of 3-[2-(ethylamino)ethyl]-5-methylidenephosphanyl-5-phenylimidazolidine-2,4-dione?
3-[2-(ethylamino)ethyl]-5-methylidenephosphanyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 291.29 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)ethyl]-5-methylidenephosphanyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 91058724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).