N-(2-cyanophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide

C16H21N3O2 — CID 116634774

IUPACN-(2-cyanophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
SMILESN#Cc1ccccc1NC(=O)CN1CCCCCC1CO
InChIInChI=1S/C16H21N3O2/c17-10-13-6-3-4-8-15(13)18-16(21)11-19-9-5-1-2-7-14(19)12-20/h3-4,6,8,14,20H,1-2,5,7,9,11-12H2,(H,18,21)
InChIKeyIJLSLVZPPQEKKI-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.73
Rot. Bonds4

About N-(2-cyanophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide

N-(2-cyanophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide (PubChem CID 116634774) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
PubChem CID116634774
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(2-cyanophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
SMILESN#Cc1ccccc1NC(=O)CN1CCCCCC1CO
InChIInChI=1S/C16H21N3O2/c17-10-13-6-3-4-8-15(13)18-16(21)11-19-9-5-1-2-7-14(19)12-20/h3-4,6,8,14,20H,1-2,5,7,9,11-12H2,(H,18,21)
InChIKeyIJLSLVZPPQEKKI-UHFFFAOYSA-N
XLogP1.73
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-cyanophenyl)-2-[2-(hydroxymethyl)azepan-1-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-(2-cyanophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43212873
N-(2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684580
2-[2-(hydroxymethyl)piperidin-1-yl]-N-naphthalen-1-ylacetamide
CID 110880917
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 62046547
N-(3-cyanophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684715
N-(2-cyanophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 1439590
N-(2-acetylphenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 63297555
N-(2-cyanophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 43176776
N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]benzamide
CID 116637743
N-(2-cyanophenyl)-2-cyclohexylsulfonylacetamide
CID 64692861
N-(2,5-dichlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637787
N-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]benzamide
CID 60684983

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide (CID 116634774) is N-(2-cyanophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide is N#Cc1ccccc1NC(=O)CN1CCCCCC1CO.
What is the InChIKey of N-(2-cyanophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide?
The InChIKey is IJLSLVZPPQEKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-10-13-6-3-4-8-15(13)18-16(21)11-19-9-5-1-2-7-14(19)12-20/h3-4,6,8,14,20H,1-2,5,7,9,11-12H2,(H,18,21).
What are the key properties of N-(2-cyanophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide?
N-(2-cyanophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide has a molecular weight of 287.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide is sourced from PubChem (CID 116634774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).