N-(2-cyanophenyl)-2-(oxolan-2-ylmethylamino)acetamide

C14H17N3O2 — CID 3229567

IUPACN-(2-cyanophenyl)-2-(oxolan-2-ylmethylamino)acetamide
SMILESN#Cc1ccccc1NC(=O)CNCC1CCCO1
InChIInChI=1S/C14H17N3O2/c15-8-11-4-1-2-6-13(11)17-14(18)10-16-9-12-5-3-7-19-12/h1-2,4,6,12,16H,3,5,7,9-10H2,(H,17,18)
InChIKeyDFTBCGIUDVXHBG-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.27
Rot. Bonds5

About N-(2-cyanophenyl)-2-(oxolan-2-ylmethylamino)acetamide

N-(2-cyanophenyl)-2-(oxolan-2-ylmethylamino)acetamide (PubChem CID 3229567) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(oxolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(oxolan-2-ylmethylamino)acetamide
PubChem CID3229567
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(2-cyanophenyl)-2-(oxolan-2-ylmethylamino)acetamide
SMILESN#Cc1ccccc1NC(=O)CNCC1CCCO1
InChIInChI=1S/C14H17N3O2/c15-8-11-4-1-2-6-13(11)17-14(18)10-16-9-12-5-3-7-19-12/h1-2,4,6,12,16H,3,5,7,9-10H2,(H,17,18)
InChIKeyDFTBCGIUDVXHBG-UHFFFAOYSA-N
XLogP1.27
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(oxolan-2-ylmethylamino)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(oxolan-2-ylmethylamino)acetamide (CID 3229567) is N-(2-cyanophenyl)-2-(oxolan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(oxolan-2-ylmethylamino)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(oxolan-2-ylmethylamino)acetamide is N#Cc1ccccc1NC(=O)CNCC1CCCO1.
What is the InChIKey of N-(2-cyanophenyl)-2-(oxolan-2-ylmethylamino)acetamide?
The InChIKey is DFTBCGIUDVXHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-8-11-4-1-2-6-13(11)17-14(18)10-16-9-12-5-3-7-19-12/h1-2,4,6,12,16H,3,5,7,9-10H2,(H,17,18).
What are the key properties of N-(2-cyanophenyl)-2-(oxolan-2-ylmethylamino)acetamide?
N-(2-cyanophenyl)-2-(oxolan-2-ylmethylamino)acetamide has a molecular weight of 259.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(oxolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 3229567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).