N-(3-cyanophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propanamide

C15H21N3O2 — CID 115666850

IUPACN-(3-cyanophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propanamide
SMILESCN(CCC(=O)Nc1cccc(C#N)c1)C(C)(C)CO
InChIInChI=1S/C15H21N3O2/c1-15(2,11-19)18(3)8-7-14(20)17-13-6-4-5-12(9-13)10-16/h4-6,9,19H,7-8,11H2,1-3H3,(H,17,20)
InChIKeyGQJAKUAWNVHSJV-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.59
Rot. Bonds6

About N-(3-cyanophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propanamide

N-(3-cyanophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propanamide (PubChem CID 115666850) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propanamide
PubChem CID115666850
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(3-cyanophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propanamide
SMILESCN(CCC(=O)Nc1cccc(C#N)c1)C(C)(C)CO
InChIInChI=1S/C15H21N3O2/c1-15(2,11-19)18(3)8-7-14(20)17-13-6-4-5-12(9-13)10-16/h4-6,9,19H,7-8,11H2,1-3H3,(H,17,20)
InChIKeyGQJAKUAWNVHSJV-UHFFFAOYSA-N
XLogP1.59
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[tert-butyl(methylsulfonyl)amino]-N-(3-cyanophenyl)propanamide
CID 113140951
N-(3-cyanophenyl)-3,3-dimethylbutanamide
CID 803129
3-(tert-butylamino)-N-(3-cyanophenyl)propanamide
CID 60716477
N-(3-cyanophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43569140
N-(3-cyanophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 80712090
N-(3-cyanophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026283
N-(3-cyanophenyl)-3-[methyl(2-phenoxyethyl)amino]propanamide
CID 33477524
N-(3-cyanophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide
CID 115666864
3-(3-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113146923
N-(3-cyanophenyl)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide
CID 115898088
3-(4-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113147040
1-(3-cyanophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 43501248

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propanamide (CID 115666850) is N-(3-cyanophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propanamide is CN(CCC(=O)Nc1cccc(C#N)c1)C(C)(C)CO.
What is the InChIKey of N-(3-cyanophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propanamide?
The InChIKey is GQJAKUAWNVHSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,11-19)18(3)8-7-14(20)17-13-6-4-5-12(9-13)10-16/h4-6,9,19H,7-8,11H2,1-3H3,(H,17,20).
What are the key properties of N-(3-cyanophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propanamide?
N-(3-cyanophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propanamide has a molecular weight of 275.35 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propanamide is sourced from PubChem (CID 115666850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).