2-cyano-N-[2-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide

C17H21N3O3 — CID 108923822

IUPAC2-cyano-N-[2-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide
SMILESN#CCC(=O)Nc1ccccc1CNC(=O)CC1CCOCC1
InChIInChI=1S/C17H21N3O3/c18-8-5-16(21)20-15-4-2-1-3-14(15)12-19-17(22)11-13-6-9-23-10-7-13/h1-4,13H,5-7,9-12H2,(H,19,22)(H,20,21)
InChIKeyOJSXIFSVNGGWOK-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.97
Rot. Bonds6

About 2-cyano-N-[2-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide

2-cyano-N-[2-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide (PubChem CID 108923822) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-cyano-N-[2-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide
PubChem CID108923822
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-cyano-N-[2-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide
SMILESN#CCC(=O)Nc1ccccc1CNC(=O)CC1CCOCC1
InChIInChI=1S/C17H21N3O3/c18-8-5-16(21)20-15-4-2-1-3-14(15)12-19-17(22)11-13-6-9-23-10-7-13/h1-4,13H,5-7,9-12H2,(H,19,22)(H,20,21)
InChIKeyOJSXIFSVNGGWOK-UHFFFAOYSA-N
XLogP1.97
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-2-(oxan-4-yl)acetamide
CID 119440769
2-cyano-N-[3-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide
CID 108924219
N-(2-cyanophenyl)-2-(oxan-4-yl)acetamide
CID 110864676
2-cyano-N-[2-[(2-cyclopentylacetyl)amino]phenyl]acetamide
CID 108923007
2-cyano-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]acetamide
CID 108923450
N-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]-2-cyanoacetamide
CID 108923717
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 71980057
2-cyano-N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108923722
N-(2-cyanophenyl)-2-(oxan-4-ylmethoxy)acetamide
CID 62382807
2-cyclopentyl-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 60776430
2-cyano-N-[2-[(dimethylamino)methyl]phenyl]acetamide
CID 110470101
2-cyano-N-[2-[[[2-(4-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923654

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[2-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide (CID 108923822) is 2-cyano-N-[2-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide is N#CCC(=O)Nc1ccccc1CNC(=O)CC1CCOCC1.
What is the InChIKey of 2-cyano-N-[2-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide?
The InChIKey is OJSXIFSVNGGWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c18-8-5-16(21)20-15-4-2-1-3-14(15)12-19-17(22)11-13-6-9-23-10-7-13/h1-4,13H,5-7,9-12H2,(H,19,22)(H,20,21).
What are the key properties of 2-cyano-N-[2-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide?
2-cyano-N-[2-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide has a molecular weight of 315.37 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 108923822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).