N-(1-cyanocyclobutyl)-3-hydroxy-N-methyl-3-phenylbutanamide

C16H20N2O2 — CID 110025058

IUPACN-(1-cyanocyclobutyl)-3-hydroxy-N-methyl-3-phenylbutanamide
SMILESCN(C(=O)CC(C)(O)c1ccccc1)C1(C#N)CCC1
InChIInChI=1S/C16H20N2O2/c1-15(20,13-7-4-3-5-8-13)11-14(19)18(2)16(12-17)9-6-10-16/h3-5,7-8,20H,6,9-11H2,1-2H3
InChIKeyVLIZPONOXDHCAV-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.19
Rot. Bonds4

About N-(1-cyanocyclobutyl)-3-hydroxy-N-methyl-3-phenylbutanamide

N-(1-cyanocyclobutyl)-3-hydroxy-N-methyl-3-phenylbutanamide (PubChem CID 110025058) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(1-cyanocyclobutyl)-3-hydroxy-N-methyl-3-phenylbutanamide.

Molecular Properties

Compound NameN-(1-cyanocyclobutyl)-3-hydroxy-N-methyl-3-phenylbutanamide
PubChem CID110025058
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(1-cyanocyclobutyl)-3-hydroxy-N-methyl-3-phenylbutanamide
SMILESCN(C(=O)CC(C)(O)c1ccccc1)C1(C#N)CCC1
InChIInChI=1S/C16H20N2O2/c1-15(20,13-7-4-3-5-8-13)11-14(19)18(2)16(12-17)9-6-10-16/h3-5,7-8,20H,6,9-11H2,1-2H3
InChIKeyVLIZPONOXDHCAV-UHFFFAOYSA-N
XLogP2.19
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 7861010
benzhydryl-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylazanium
CID 9494211
N-(1-cyanocyclohexyl)-N-methyl-2-[methyl(naphthalen-1-yl)amino]acetamide
CID 60572836
2-[benzyl-(1-methoxy-2-methylpropan-2-yl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 75445714
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-phenoxyacetate
CID 7697673
N-(1-cyanocyclohexyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 26571918
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 7764740
N-(1-cyanocyclohexyl)-N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide
CID 9248242
N-(1-cyanocyclobutyl)-N,1-dimethylindole-2-carboxamide
CID 47445560
N-(1-cyanocyclohexyl)-N-methyl-2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]acetamide
CID 98844659
N-(1-cyanocyclohexyl)-N-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7459337
2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 43016293

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclobutyl)-3-hydroxy-N-methyl-3-phenylbutanamide?
The IUPAC name of N-(1-cyanocyclobutyl)-3-hydroxy-N-methyl-3-phenylbutanamide (CID 110025058) is N-(1-cyanocyclobutyl)-3-hydroxy-N-methyl-3-phenylbutanamide.
What is the SMILES notation for N-(1-cyanocyclobutyl)-3-hydroxy-N-methyl-3-phenylbutanamide?
The canonical SMILES for N-(1-cyanocyclobutyl)-3-hydroxy-N-methyl-3-phenylbutanamide is CN(C(=O)CC(C)(O)c1ccccc1)C1(C#N)CCC1.
What is the InChIKey of N-(1-cyanocyclobutyl)-3-hydroxy-N-methyl-3-phenylbutanamide?
The InChIKey is VLIZPONOXDHCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-15(20,13-7-4-3-5-8-13)11-14(19)18(2)16(12-17)9-6-10-16/h3-5,7-8,20H,6,9-11H2,1-2H3.
What are the key properties of N-(1-cyanocyclobutyl)-3-hydroxy-N-methyl-3-phenylbutanamide?
N-(1-cyanocyclobutyl)-3-hydroxy-N-methyl-3-phenylbutanamide has a molecular weight of 272.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclobutyl)-3-hydroxy-N-methyl-3-phenylbutanamide is sourced from PubChem (CID 110025058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).