3-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)propanamide

C20H24N2O3 — CID 109016142

IUPAC3-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)propanamide
SMILESO=C(CCNCC1CCCO1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H24N2O3/c23-20(12-13-21-15-17-9-6-14-24-17)22-18-10-4-5-11-19(18)25-16-7-2-1-3-8-16/h1-5,7-8,10-11,17,21H,6,9,12-15H2,(H,22,23)
InChIKeyIABZVQRGSKIOAT-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.58
Rot. Bonds8

About 3-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)propanamide

3-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)propanamide (PubChem CID 109016142) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)propanamide
PubChem CID109016142
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)propanamide
SMILESO=C(CCNCC1CCCO1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H24N2O3/c23-20(12-13-21-15-17-9-6-14-24-17)22-18-10-4-5-11-19(18)25-16-7-2-1-3-8-16/h1-5,7-8,10-11,17,21H,6,9,12-15H2,(H,22,23)
InChIKeyIABZVQRGSKIOAT-UHFFFAOYSA-N
XLogP3.58
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109016102
N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-(2-phenoxyanilino)ethyl]amino]benzamide
CID 41210911
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(2-phenoxyphenyl)benzamide
CID 25412976
N-(2,5-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016066
[2-oxo-2-(2-phenoxyanilino)ethyl] 4-(oxolan-2-ylmethoxy)benzoate
CID 46793927
N-(2,6-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016069
5-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide
CID 109229065
2-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54815711
2-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109300853
N-(2,6-diethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016078
N-(2-phenoxyphenyl)-3-(propan-2-ylamino)propanamide
CID 109011722
2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2-phenoxyphenyl)acetamide
CID 46640384

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)propanamide?
The IUPAC name of 3-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)propanamide (CID 109016142) is 3-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)propanamide?
The canonical SMILES for 3-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)propanamide is O=C(CCNCC1CCCO1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 3-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)propanamide?
The InChIKey is IABZVQRGSKIOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-20(12-13-21-15-17-9-6-14-24-17)22-18-10-4-5-11-19(18)25-16-7-2-1-3-8-16/h1-5,7-8,10-11,17,21H,6,9,12-15H2,(H,22,23).
What are the key properties of 3-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)propanamide?
3-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)propanamide has a molecular weight of 340.42 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)propanamide is sourced from PubChem (CID 109016142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).