3-(4-cyanoanilino)-N-(oxolan-2-ylmethyl)propanamide

C15H19N3O2 — CID 109015978

IUPAC3-(4-cyanoanilino)-N-(oxolan-2-ylmethyl)propanamide
SMILESN#Cc1ccc(NCCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C15H19N3O2/c16-10-12-3-5-13(6-4-12)17-8-7-15(19)18-11-14-2-1-9-20-14/h3-6,14,17H,1-2,7-9,11H2,(H,18,19)
InChIKeyKMADVJKJBBUMGQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.66
Rot. Bonds6

About 3-(4-cyanoanilino)-N-(oxolan-2-ylmethyl)propanamide

3-(4-cyanoanilino)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 109015978) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(4-cyanoanilino)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-cyanoanilino)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID109015978
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(4-cyanoanilino)-N-(oxolan-2-ylmethyl)propanamide
SMILESN#Cc1ccc(NCCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C15H19N3O2/c16-10-12-3-5-13(6-4-12)17-8-7-15(19)18-11-14-2-1-9-20-14/h3-6,14,17H,1-2,7-9,11H2,(H,18,19)
InChIKeyKMADVJKJBBUMGQ-UHFFFAOYSA-N
XLogP1.66
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015917
4-(oxolan-2-ylmethylamino)benzonitrile
CID 43176893
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015955
3-[4-chloro-3-(trifluoromethyl)anilino]-N-(oxolan-2-ylmethyl)propanamide
CID 109015962
2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 108994419
3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 60849170
N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide
CID 63939812
3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 54773627
3-(2,5-dichloroanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015968
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984182
4-[2-(1,3-dioxan-2-yl)ethylamino]benzonitrile
CID 176963413
2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54811659

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanoanilino)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-(4-cyanoanilino)-N-(oxolan-2-ylmethyl)propanamide (CID 109015978) is 3-(4-cyanoanilino)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-cyanoanilino)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(4-cyanoanilino)-N-(oxolan-2-ylmethyl)propanamide is N#Cc1ccc(NCCC(=O)NCC2CCCO2)cc1.
What is the InChIKey of 3-(4-cyanoanilino)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is KMADVJKJBBUMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-10-12-3-5-13(6-4-12)17-8-7-15(19)18-11-14-2-1-9-20-14/h3-6,14,17H,1-2,7-9,11H2,(H,18,19).
What are the key properties of 3-(4-cyanoanilino)-N-(oxolan-2-ylmethyl)propanamide?
3-(4-cyanoanilino)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 273.34 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanoanilino)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 109015978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).