N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide

C15H20N2O3 — CID 108943682

IUPACN'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C15H20N2O3/c1-11-4-6-12(7-5-11)17-15(19)9-14(18)16-10-13-3-2-8-20-13/h4-7,13H,2-3,8-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyRFEBDQQQHSTMBE-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.62
Rot. Bonds5

About N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide

N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide (PubChem CID 108943682) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide.

Molecular Properties

Compound NameN'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
PubChem CID108943682
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C15H20N2O3/c1-11-4-6-12(7-5-11)17-15(19)9-14(18)16-10-13-3-2-8-20-13/h4-7,13H,2-3,8-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyRFEBDQQQHSTMBE-UHFFFAOYSA-N
XLogP1.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chloro-4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943710
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
N-(4-methylphenyl)-2-(oxan-2-ylmethylamino)acetamide
CID 55014055
N'-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943726
N'-(2-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943680
2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 119701961
(2R)-4-(4-methylanilino)-4-oxo-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid
CID 830003
2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 112991346
N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
N-(4-methylphenyl)-2-(oxolan-2-ylmethylamino)propanamide
CID 60638599
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119677925
4-[[2-(3,5-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54813138

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide?
The IUPAC name of N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide (CID 108943682) is N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide.
What is the SMILES notation for N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide?
The canonical SMILES for N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide is Cc1ccc(NC(=O)CC(=O)NCC2CCCO2)cc1.
What is the InChIKey of N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide?
The InChIKey is RFEBDQQQHSTMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-4-6-12(7-5-11)17-15(19)9-14(18)16-10-13-3-2-8-20-13/h4-7,13H,2-3,8-10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide?
N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide has a molecular weight of 276.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide is sourced from PubChem (CID 108943682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).