4-[2-(propan-2-ylamino)benzoyl]morpholine-2-carbonitrile

C15H19N3O2 — CID 79681452

IUPAC4-[2-(propan-2-ylamino)benzoyl]morpholine-2-carbonitrile
SMILESCC(C)Nc1ccccc1C(=O)N1CCOC(C#N)C1
InChIInChI=1S/C15H19N3O2/c1-11(2)17-14-6-4-3-5-13(14)15(19)18-7-8-20-12(9-16)10-18/h3-6,11-12,17H,7-8,10H2,1-2H3
InChIKeyGUBNPTLZVYKREJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.87
Rot. Bonds3

About 4-[2-(propan-2-ylamino)benzoyl]morpholine-2-carbonitrile

4-[2-(propan-2-ylamino)benzoyl]morpholine-2-carbonitrile (PubChem CID 79681452) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[2-(propan-2-ylamino)benzoyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-(propan-2-ylamino)benzoyl]morpholine-2-carbonitrile
PubChem CID79681452
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-[2-(propan-2-ylamino)benzoyl]morpholine-2-carbonitrile
SMILESCC(C)Nc1ccccc1C(=O)N1CCOC(C#N)C1
InChIInChI=1S/C15H19N3O2/c1-11(2)17-14-6-4-3-5-13(14)15(19)18-7-8-20-12(9-16)10-18/h3-6,11-12,17H,7-8,10H2,1-2H3
InChIKeyGUBNPTLZVYKREJ-UHFFFAOYSA-N
XLogP1.87
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylpyrrolidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63108073
4-(2,3-dichlorobenzoyl)morpholine-2-carbonitrile
CID 78945716
2-cyano-N-propan-2-ylmorpholine-4-carboxamide
CID 78946088
(3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63107682
4-(2-methylfuran-3-carbonyl)morpholine-2-carbonitrile
CID 78945652
4-(3-aminonaphthalene-2-carbonyl)morpholine-2-carbonitrile
CID 79670203
4-[5-chloro-2-(methylamino)benzoyl]morpholine-2-carbonitrile
CID 79676191
4-(3-fluoro-2-hydrazinylbenzoyl)morpholine-2-carbonitrile
CID 79675907
1-[2-(propan-2-ylamino)benzoyl]piperidine-3-carboxylic acid
CID 171389822
(4-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63107586
4-[2-(methylamino)-3-nitrobenzoyl]morpholine-2-carbonitrile
CID 115936878
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-[2-(propan-2-ylamino)phenyl]methanone
CID 63108568

Frequently Asked Questions

What is the IUPAC name of 4-[2-(propan-2-ylamino)benzoyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[2-(propan-2-ylamino)benzoyl]morpholine-2-carbonitrile (CID 79681452) is 4-[2-(propan-2-ylamino)benzoyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[2-(propan-2-ylamino)benzoyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[2-(propan-2-ylamino)benzoyl]morpholine-2-carbonitrile is CC(C)Nc1ccccc1C(=O)N1CCOC(C#N)C1.
What is the InChIKey of 4-[2-(propan-2-ylamino)benzoyl]morpholine-2-carbonitrile?
The InChIKey is GUBNPTLZVYKREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(2)17-14-6-4-3-5-13(14)15(19)18-7-8-20-12(9-16)10-18/h3-6,11-12,17H,7-8,10H2,1-2H3.
What are the key properties of 4-[2-(propan-2-ylamino)benzoyl]morpholine-2-carbonitrile?
4-[2-(propan-2-ylamino)benzoyl]morpholine-2-carbonitrile has a molecular weight of 273.34 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(propan-2-ylamino)benzoyl]morpholine-2-carbonitrile is sourced from PubChem (CID 79681452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).