N-(2-cyanophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide

C14H19N3O2 — CID 115666891

IUPACN-(2-cyanophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
SMILESCC(O)CCN(C)CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C14H19N3O2/c1-11(18)7-8-17(2)10-14(19)16-13-6-4-3-5-12(13)9-15/h3-6,11,18H,7-8,10H2,1-2H3,(H,16,19)
InChIKeyQFVXCVGCOZEDLZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.20
Rot. Bonds6

About N-(2-cyanophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide

N-(2-cyanophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide (PubChem CID 115666891) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
PubChem CID115666891
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(2-cyanophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
SMILESCC(O)CCN(C)CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C14H19N3O2/c1-11(18)7-8-17(2)10-14(19)16-13-6-4-3-5-12(13)9-15/h3-6,11,18H,7-8,10H2,1-2H3,(H,16,19)
InChIKeyQFVXCVGCOZEDLZ-UHFFFAOYSA-N
XLogP1.20
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488425
2-[3-hydroxybutyl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 115665846
N-(2-cyanophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
CID 63207235
2-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)acetamide
CID 2657318
N-(2-cyanophenyl)-2-[ethyl(propan-2-yl)amino]acetamide
CID 43265776
ethyl 2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylamino]acetate
CID 62011415
2-[[3-hydroxybutyl(methyl)amino]methyl]benzonitrile
CID 71988951
N-(2-cyanophenyl)-3-[methyl(2-methylbutyl)amino]propanamide
CID 43295810
N-(2-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965374
3-[acetyl(1-phenylethyl)amino]-N-(2-cyanophenyl)propanamide
CID 113119056
2-[butan-2-yl(2-methoxyethyl)amino]-N-(2-cyanophenyl)acetamide
CID 60967697
N-(2-cyanophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63694009

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide (CID 115666891) is N-(2-cyanophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide is CC(O)CCN(C)CC(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide?
The InChIKey is QFVXCVGCOZEDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11(18)7-8-17(2)10-14(19)16-13-6-4-3-5-12(13)9-15/h3-6,11,18H,7-8,10H2,1-2H3,(H,16,19).
What are the key properties of N-(2-cyanophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide?
N-(2-cyanophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide has a molecular weight of 261.32 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide is sourced from PubChem (CID 115666891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).