2-[2-cyanopropyl(ethyl)amino]-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

C19H25N5O3 — CID 55987255

IUPAC2-[2-cyanopropyl(ethyl)amino]-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCCN(CC(=O)NN1C(=O)NC(CC)(c2ccccc2)C1=O)CC(C)C#N
InChIInChI=1S/C19H25N5O3/c1-4-19(15-9-7-6-8-10-15)17(26)24(18(27)21-19)22-16(25)13-23(5-2)12-14(3)11-20/h6-10,14H,4-5,12-13H2,1-3H3,(H,21,27)(H,22,25)
InChIKeyBOJFPIGOJOVXBH-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.36
Rot. Bonds8

About 2-[2-cyanopropyl(ethyl)amino]-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

2-[2-cyanopropyl(ethyl)amino]-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (PubChem CID 55987255) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[2-cyanopropyl(ethyl)amino]-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound Name2-[2-cyanopropyl(ethyl)amino]-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
PubChem CID55987255
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name2-[2-cyanopropyl(ethyl)amino]-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCCN(CC(=O)NN1C(=O)NC(CC)(c2ccccc2)C1=O)CC(C)C#N
InChIInChI=1S/C19H25N5O3/c1-4-19(15-9-7-6-8-10-15)17(26)24(18(27)21-19)22-16(25)13-23(5-2)12-14(3)11-20/h6-10,14H,4-5,12-13H2,1-3H3,(H,21,27)(H,22,25)
InChIKeyBOJFPIGOJOVXBH-UHFFFAOYSA-N
XLogP1.36
TPSA105.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanopropyl(ethyl)amino]-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The IUPAC name of 2-[2-cyanopropyl(ethyl)amino]-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (CID 55987255) is 2-[2-cyanopropyl(ethyl)amino]-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for 2-[2-cyanopropyl(ethyl)amino]-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The canonical SMILES for 2-[2-cyanopropyl(ethyl)amino]-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is CCN(CC(=O)NN1C(=O)NC(CC)(c2ccccc2)C1=O)CC(C)C#N.
What is the InChIKey of 2-[2-cyanopropyl(ethyl)amino]-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The InChIKey is BOJFPIGOJOVXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-4-19(15-9-7-6-8-10-15)17(26)24(18(27)21-19)22-16(25)13-23(5-2)12-14(3)11-20/h6-10,14H,4-5,12-13H2,1-3H3,(H,21,27)(H,22,25).
What are the key properties of 2-[2-cyanopropyl(ethyl)amino]-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
2-[2-cyanopropyl(ethyl)amino]-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide has a molecular weight of 371.44 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanopropyl(ethyl)amino]-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 55987255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).