2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)acetamide

C14H17N3O2 — CID 108994419

IUPAC2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESN#Cc1cccc(NCC(=O)NCC2CCCO2)c1
InChIInChI=1S/C14H17N3O2/c15-8-11-3-1-4-12(7-11)16-10-14(18)17-9-13-5-2-6-19-13/h1,3-4,7,13,16H,2,5-6,9-10H2,(H,17,18)
InChIKeyYOAKHLWNDMXDAZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.27
Rot. Bonds5

About 2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)acetamide

2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 108994419) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID108994419
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESN#Cc1cccc(NCC(=O)NCC2CCCO2)c1
InChIInChI=1S/C14H17N3O2/c15-8-11-3-1-4-12(7-11)16-10-14(18)17-9-13-5-2-6-19-13/h1,3-4,7,13,16H,2,5-6,9-10H2,(H,17,18)
InChIKeyYOAKHLWNDMXDAZ-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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Related Compounds

2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54810604
N-(oxolan-2-ylmethyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54829868
2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252493
N-(oxolan-2-ylmethyl)-2-(3-propoxyanilino)acetamide
CID 54825001
4-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206901
3-(4-cyanoanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015978
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54837066
2-(3-cyanoanilino)-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324832
N-[2-(3-cyanoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113001915
3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54842684
N-[(3-cyanophenyl)methyl]-2-(oxolan-2-yl)acetamide
CID 60769167
2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54811659

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)acetamide (CID 108994419) is 2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)acetamide is N#Cc1cccc(NCC(=O)NCC2CCCO2)c1.
What is the InChIKey of 2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is YOAKHLWNDMXDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-8-11-3-1-4-12(7-11)16-10-14(18)17-9-13-5-2-6-19-13/h1,3-4,7,13,16H,2,5-6,9-10H2,(H,17,18).
What are the key properties of 2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)acetamide?
2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)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 2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 108994419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).