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

C15H20N2O3 — CID 108943680

IUPACN'-(2-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
SMILESCc1ccccc1NC(=O)CC(=O)NCC1CCCO1
InChIInChI=1S/C15H20N2O3/c1-11-5-2-3-7-13(11)17-15(19)9-14(18)16-10-12-6-4-8-20-12/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyUJKLVNFOGZHQBH-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.62
Rot. Bonds5

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

N'-(2-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide (PubChem CID 108943680) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N'-(2-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide.

Molecular Properties

Compound NameN'-(2-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
PubChem CID108943680
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN'-(2-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
SMILESCc1ccccc1NC(=O)CC(=O)NCC1CCCO1
InChIInChI=1S/C15H20N2O3/c1-11-5-2-3-7-13(11)17-15(19)9-14(18)16-10-12-6-4-8-20-12/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyUJKLVNFOGZHQBH-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

1-(2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 886428
N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943682
N'-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943767
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline
CID 28585976
N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 2078790
N'-(3-chloro-4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943710
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
N'-(2-methylsulfanylphenyl)-N-(oxan-2-ylmethyl)butanediamide
CID 50960888
2-(7-methyl-1H-indol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110849461
methyl 4-chloro-3-[[3-oxo-3-(oxolan-2-ylmethylamino)propanoyl]amino]benzoate
CID 108943737
N'-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943614
N-(2-bromophenyl)-2-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]acetamide
CID 8788459

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide?
The IUPAC name of N'-(2-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide (CID 108943680) is N'-(2-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide.
What is the SMILES notation for N'-(2-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide?
The canonical SMILES for N'-(2-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide is Cc1ccccc1NC(=O)CC(=O)NCC1CCCO1.
What is the InChIKey of N'-(2-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide?
The InChIKey is UJKLVNFOGZHQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-5-2-3-7-13(11)17-15(19)9-14(18)16-10-12-6-4-8-20-12/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-(2-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide?
N'-(2-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'-(2-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide is sourced from PubChem (CID 108943680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).