N-(3-cyanophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide

C14H16N4O2 — CID 62490825

IUPACN-(3-cyanophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide
SMILESCN1CCN(CCC(=O)Nc2cccc(C#N)c2)C1=O
InChIInChI=1S/C14H16N4O2/c1-17-7-8-18(14(17)20)6-5-13(19)16-12-4-2-3-11(9-12)10-15/h2-4,9H,5-8H2,1H3,(H,16,19)
InChIKeyZKCLZISICCBOFJ-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.25
Rot. Bonds4

About N-(3-cyanophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide

N-(3-cyanophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide (PubChem CID 62490825) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide
PubChem CID62490825
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-(3-cyanophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide
SMILESCN1CCN(CCC(=O)Nc2cccc(C#N)c2)C1=O
InChIInChI=1S/C14H16N4O2/c1-17-7-8-18(14(17)20)6-5-13(19)16-12-4-2-3-11(9-12)10-15/h2-4,9H,5-8H2,1H3,(H,16,19)
InChIKeyZKCLZISICCBOFJ-UHFFFAOYSA-N
XLogP1.25
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide (CID 62490825) is N-(3-cyanophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide is CN1CCN(CCC(=O)Nc2cccc(C#N)c2)C1=O.
What is the InChIKey of N-(3-cyanophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide?
The InChIKey is ZKCLZISICCBOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-17-7-8-18(14(17)20)6-5-13(19)16-12-4-2-3-11(9-12)10-15/h2-4,9H,5-8H2,1H3,(H,16,19).
What are the key properties of N-(3-cyanophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide?
N-(3-cyanophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide has a molecular weight of 272.31 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide is sourced from PubChem (CID 62490825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).