(2S)-2-(4-cyanophenoxy)-N-(5,5-dimethyl-2-oxo-1H-imidazol-4-yl)propanamide

C15H16N4O3 — CID 95975207

IUPAC(2S)-2-(4-cyanophenoxy)-N-(5,5-dimethyl-2-oxo-1H-imidazol-4-yl)propanamide
SMILESC[C@H](Oc1ccc(C#N)cc1)C(=O)NC1=NC(=O)NC1(C)C
InChIInChI=1S/C15H16N4O3/c1-9(22-11-6-4-10(8-16)5-7-11)12(20)17-13-15(2,3)19-14(21)18-13/h4-7,9H,1-3H3,(H2,17,18,19,20,21)/t9-/m0/s1
InChIKeyKOHNOXSZZDGJNO-VIFPVBQESA-N
MW300.32 g/mol
LogP1.34
Rot. Bonds3

About (2S)-2-(4-cyanophenoxy)-N-(5,5-dimethyl-2-oxo-1H-imidazol-4-yl)propanamide

(2S)-2-(4-cyanophenoxy)-N-(5,5-dimethyl-2-oxo-1H-imidazol-4-yl)propanamide (PubChem CID 95975207) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is (2S)-2-(4-cyanophenoxy)-N-(5,5-dimethyl-2-oxo-1H-imidazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-cyanophenoxy)-N-(5,5-dimethyl-2-oxo-1H-imidazol-4-yl)propanamide
PubChem CID95975207
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name(2S)-2-(4-cyanophenoxy)-N-(5,5-dimethyl-2-oxo-1H-imidazol-4-yl)propanamide
SMILESC[C@H](Oc1ccc(C#N)cc1)C(=O)NC1=NC(=O)NC1(C)C
InChIInChI=1S/C15H16N4O3/c1-9(22-11-6-4-10(8-16)5-7-11)12(20)17-13-15(2,3)19-14(21)18-13/h4-7,9H,1-3H3,(H2,17,18,19,20,21)/t9-/m0/s1
InChIKeyKOHNOXSZZDGJNO-VIFPVBQESA-N
XLogP1.34
TPSA103.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
(2R)-2-(4-cyanophenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 40953055
(2R)-2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 30866427
N-(5-chloro-2-pyridinyl)-2-(4-cyanophenoxy)propanamide
CID 51140376
2-(4-cyanophenoxy)-N-(2-hydroxyphenyl)propanamide
CID 46665197
(2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide
CID 7503268
(2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide
CID 7832898
(2R)-2-(4-cyanophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 94796234
(2S)-2-(4-cyanophenoxy)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 41097159
2-(4-cyanophenoxy)-N-(2,6-difluorophenyl)propanamide
CID 51158907
2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 51140373
(2R)-2-(4-cyanophenoxy)-N-(1-methylpyrazol-3-yl)propanamide
CID 25438347

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyanophenoxy)-N-(5,5-dimethyl-2-oxo-1H-imidazol-4-yl)propanamide?
The IUPAC name of (2S)-2-(4-cyanophenoxy)-N-(5,5-dimethyl-2-oxo-1H-imidazol-4-yl)propanamide (CID 95975207) is (2S)-2-(4-cyanophenoxy)-N-(5,5-dimethyl-2-oxo-1H-imidazol-4-yl)propanamide.
What is the SMILES notation for (2S)-2-(4-cyanophenoxy)-N-(5,5-dimethyl-2-oxo-1H-imidazol-4-yl)propanamide?
The canonical SMILES for (2S)-2-(4-cyanophenoxy)-N-(5,5-dimethyl-2-oxo-1H-imidazol-4-yl)propanamide is C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1=NC(=O)NC1(C)C.
What is the InChIKey of (2S)-2-(4-cyanophenoxy)-N-(5,5-dimethyl-2-oxo-1H-imidazol-4-yl)propanamide?
The InChIKey is KOHNOXSZZDGJNO-VIFPVBQESA-N. The full InChI is InChI=1S/C15H16N4O3/c1-9(22-11-6-4-10(8-16)5-7-11)12(20)17-13-15(2,3)19-14(21)18-13/h4-7,9H,1-3H3,(H2,17,18,19,20,21)/t9-/m0/s1.
What are the key properties of (2S)-2-(4-cyanophenoxy)-N-(5,5-dimethyl-2-oxo-1H-imidazol-4-yl)propanamide?
(2S)-2-(4-cyanophenoxy)-N-(5,5-dimethyl-2-oxo-1H-imidazol-4-yl)propanamide has a molecular weight of 300.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-cyanophenoxy)-N-(5,5-dimethyl-2-oxo-1H-imidazol-4-yl)propanamide is sourced from PubChem (CID 95975207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).