3-(2-imino-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-N-methoxy-N-methylbut-3-enamide

C20H25N4O2P — CID 134471311

IUPAC3-(2-imino-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-N-methoxy-N-methylbut-3-enamide
SMILES[H]N=P1(C(=C)CC(=O)N(C)OC)N(c2ccccc2)CCN1c1ccccc1
InChIInChI=1S/C20H25N4O2P/c1-17(16-20(25)22(2)26-3)27(21)23(18-10-6-4-7-11-18)14-15-24(27)19-12-8-5-9-13-19/h4-13,21H,1,14-16H2,2-3H3
InChIKeyYIIXLJGOBQWGJU-UHFFFAOYSA-N
MW384.42 g/mol
LogP4.55
Rot. Bonds6

About 3-(2-imino-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-N-methoxy-N-methylbut-3-enamide

3-(2-imino-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-N-methoxy-N-methylbut-3-enamide (PubChem CID 134471311) has the molecular formula C20H25N4O2P and a molecular weight of 384.42 g/mol. Its IUPAC name is 3-(2-imino-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-N-methoxy-N-methylbut-3-enamide.

Molecular Properties

Compound Name3-(2-imino-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-N-methoxy-N-methylbut-3-enamide
PubChem CID134471311
Molecular FormulaC20H25N4O2P
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC Name3-(2-imino-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-N-methoxy-N-methylbut-3-enamide
SMILES[H]N=P1(C(=C)CC(=O)N(C)OC)N(c2ccccc2)CCN1c1ccccc1
InChIInChI=1S/C20H25N4O2P/c1-17(16-20(25)22(2)26-3)27(21)23(18-10-6-4-7-11-18)14-15-24(27)19-12-8-5-9-13-19/h4-13,21H,1,14-16H2,2-3H3
InChIKeyYIIXLJGOBQWGJU-UHFFFAOYSA-N
XLogP4.55
TPSA59.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3-(2-imino-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-N-methoxy-N-methylbut-3-enamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-imino-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-N-methoxy-N-methylbut-3-enamide?
The IUPAC name of 3-(2-imino-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-N-methoxy-N-methylbut-3-enamide (CID 134471311) is 3-(2-imino-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-N-methoxy-N-methylbut-3-enamide.
What is the SMILES notation for 3-(2-imino-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-N-methoxy-N-methylbut-3-enamide?
The canonical SMILES for 3-(2-imino-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-N-methoxy-N-methylbut-3-enamide is [H]N=P1(C(=C)CC(=O)N(C)OC)N(c2ccccc2)CCN1c1ccccc1.
What is the InChIKey of 3-(2-imino-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-N-methoxy-N-methylbut-3-enamide?
The InChIKey is YIIXLJGOBQWGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N4O2P/c1-17(16-20(25)22(2)26-3)27(21)23(18-10-6-4-7-11-18)14-15-24(27)19-12-8-5-9-13-19/h4-13,21H,1,14-16H2,2-3H3.
What are the key properties of 3-(2-imino-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-N-methoxy-N-methylbut-3-enamide?
3-(2-imino-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-N-methoxy-N-methylbut-3-enamide has a molecular weight of 384.42 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-imino-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)-N-methoxy-N-methylbut-3-enamide is sourced from PubChem (CID 134471311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).