N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide

C16H22N2O4 — CID 108943622

IUPACN'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
SMILESCOc1ccccc1CNC(=O)CC(=O)NCC1CCCO1
InChIInChI=1S/C16H22N2O4/c1-21-14-7-3-2-5-12(14)10-17-15(19)9-16(20)18-11-13-6-4-8-22-13/h2-3,5,7,13H,4,6,8-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyIJSRHGAIZSRWFP-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.00
Rot. Bonds7

About N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide

N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide (PubChem CID 108943622) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide.

Molecular Properties

Compound NameN'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
PubChem CID108943622
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
SMILESCOc1ccccc1CNC(=O)CC(=O)NCC1CCCO1
InChIInChI=1S/C16H22N2O4/c1-21-14-7-3-2-5-12(14)10-17-15(19)9-16(20)18-11-13-6-4-8-22-13/h2-3,5,7,13H,4,6,8-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyIJSRHGAIZSRWFP-UHFFFAOYSA-N
XLogP1.00
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-(oxan-2-yl)acetamide
CID 110410171
1-[(2-methoxyphenyl)methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111138447
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 964934
2-(2-methoxyphenyl)-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]acetamide
CID 125164163
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate
CID 23910544
N-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18168436
2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 46418634
2-[(2-methoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300891
(E)-3-(2-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 895784
N'-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943726
N-[(2-fluorophenyl)methyl]-2-[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 60501069
2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 4781408

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide?
The IUPAC name of N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide (CID 108943622) is N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide.
What is the SMILES notation for N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide?
The canonical SMILES for N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide is COc1ccccc1CNC(=O)CC(=O)NCC1CCCO1.
What is the InChIKey of N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide?
The InChIKey is IJSRHGAIZSRWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-21-14-7-3-2-5-12(14)10-17-15(19)9-16(20)18-11-13-6-4-8-22-13/h2-3,5,7,13H,4,6,8-11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide?
N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide has a molecular weight of 306.36 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide is sourced from PubChem (CID 108943622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).