2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide

C16H22N2O3 — CID 112991346

IUPAC2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESCc1ccc(CC(=O)NCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C16H22N2O3/c1-12-4-6-13(7-5-12)9-15(19)18-11-16(20)17-10-14-3-2-8-21-14/h4-7,14H,2-3,8-11H2,1H3,(H,17,20)(H,18,19)
InChIKeyVSNRNJFDLZBJOD-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.95
Rot. Bonds6

About 2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide

2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (PubChem CID 112991346) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
PubChem CID112991346
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESCc1ccc(CC(=O)NCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C16H22N2O3/c1-12-4-6-13(7-5-12)9-15(19)18-11-16(20)17-10-14-3-2-8-21-14/h4-7,14H,2-3,8-11H2,1H3,(H,17,20)(H,18,19)
InChIKeyVSNRNJFDLZBJOD-UHFFFAOYSA-N
XLogP0.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 56922703
N-[(4-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119677338
N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943682
3-[(4-methylphenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide
CID 3237021
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113118732
2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110768911
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
3-cyclopropyl-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110297316
2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54810604
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 108790401
2-ethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]butanamide
CID 112991314
2-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 113198023

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (CID 112991346) is 2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is Cc1ccc(CC(=O)NCC(=O)NCC2CCCO2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The InChIKey is VSNRNJFDLZBJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-4-6-13(7-5-12)9-15(19)18-11-16(20)17-10-14-3-2-8-21-14/h4-7,14H,2-3,8-11H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide has a molecular weight of 290.36 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 112991346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).