N-(4-cyanophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide

C15H19N3O3 — CID 102932812

IUPACN-(4-cyanophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
SMILESCC1CN(CC(=O)Nc2ccc(C#N)cc2)CC(CO)O1
InChIInChI=1S/C15H19N3O3/c1-11-7-18(8-14(10-19)21-11)9-15(20)17-13-4-2-12(6-16)3-5-13/h2-5,11,14,19H,7-10H2,1H3,(H,17,20)
InChIKeyJUCJRJKQWXHQEU-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.58
Rot. Bonds4

About N-(4-cyanophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide

N-(4-cyanophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide (PubChem CID 102932812) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
PubChem CID102932812
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-(4-cyanophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
SMILESCC1CN(CC(=O)Nc2ccc(C#N)cc2)CC(CO)O1
InChIInChI=1S/C15H19N3O3/c1-11-7-18(8-14(10-19)21-11)9-15(20)17-13-4-2-12(6-16)3-5-13/h2-5,11,14,19H,7-10H2,1H3,(H,17,20)
InChIKeyJUCJRJKQWXHQEU-UHFFFAOYSA-N
XLogP0.58
TPSA85.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-cyanophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(aminomethyl)phenyl]-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102932274
N-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106669426
N-(3,5-difluorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102936061
N-(3-fluoro-4-methylphenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102935699
N-(3-chloro-4-methylphenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102935978
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-ethylphenyl)acetamide
CID 8899824
N-(2,6-difluorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102935980
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)acetamide
CID 703778
N-(4-cyanophenyl)-2-(3,4-dimethylpiperidin-1-yl)acetamide
CID 115873454
N-(2-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102935529
N-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246133
N-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetyl]benzamide
CID 102935865

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide (CID 102932812) is N-(4-cyanophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide is CC1CN(CC(=O)Nc2ccc(C#N)cc2)CC(CO)O1.
What is the InChIKey of N-(4-cyanophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide?
The InChIKey is JUCJRJKQWXHQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11-7-18(8-14(10-19)21-11)9-15(20)17-13-4-2-12(6-16)3-5-13/h2-5,11,14,19H,7-10H2,1H3,(H,17,20).
What are the key properties of N-(4-cyanophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide?
N-(4-cyanophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide has a molecular weight of 289.34 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide is sourced from PubChem (CID 102932812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).