2-cyano-N-[3-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide

C17H21N3O3 — CID 108924219

IUPAC2-cyano-N-[3-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide
SMILESN#CCC(=O)Nc1cccc(CNC(=O)CC2CCOCC2)c1
InChIInChI=1S/C17H21N3O3/c18-7-4-16(21)20-15-3-1-2-14(10-15)12-19-17(22)11-13-5-8-23-9-6-13/h1-3,10,13H,4-6,8-9,11-12H2,(H,19,22)(H,20,21)
InChIKeyRSJLWSJNTPVBCG-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.97
Rot. Bonds6

About 2-cyano-N-[3-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide

2-cyano-N-[3-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide (PubChem CID 108924219) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-cyano-N-[3-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide
PubChem CID108924219
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-cyano-N-[3-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide
SMILESN#CCC(=O)Nc1cccc(CNC(=O)CC2CCOCC2)c1
InChIInChI=1S/C17H21N3O3/c18-7-4-16(21)20-15-3-1-2-14(10-15)12-19-17(22)11-13-5-8-23-9-6-13/h1-3,10,13H,4-6,8-9,11-12H2,(H,19,22)(H,20,21)
InChIKeyRSJLWSJNTPVBCG-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

2-cyano-N-[[3-[(2-cyclohexylacetyl)amino]phenyl]methyl]acetamide
CID 108924164
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]oxolane-2-carboxamide
CID 108924019
2-cyano-N-[2-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide
CID 108923822
[3-[[3-[[2-(oxan-4-yl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108929308
2-cyano-N-[[3-[[2-(oxan-4-ylidene)acetyl]amino]phenyl]methyl]acetamide
CID 108924220
2-[3-[[2-(oxan-4-yl)acetyl]amino]phenyl]acetic acid
CID 119351700
2-cyano-N-[4-[[(2-cyclopentylacetyl)amino]methyl]phenyl]acetamide
CID 108923367
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]adamantane-1-carboxamide
CID 108924095
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-4-oxopentanamide
CID 108924089
2-cyano-N-[3-[[[2-(4-methylphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108924129
2-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 61150791
2-cyano-N-[3-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108924113

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[3-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide (CID 108924219) is 2-cyano-N-[3-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide is N#CCC(=O)Nc1cccc(CNC(=O)CC2CCOCC2)c1.
What is the InChIKey of 2-cyano-N-[3-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide?
The InChIKey is RSJLWSJNTPVBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c18-7-4-16(21)20-15-3-1-2-14(10-15)12-19-17(22)11-13-5-8-23-9-6-13/h1-3,10,13H,4-6,8-9,11-12H2,(H,19,22)(H,20,21).
What are the key properties of 2-cyano-N-[3-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide?
2-cyano-N-[3-[[[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-[3-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 108924219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).