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

C16H23NO2 — CID 71993848

IUPACN-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCC(=O)N(CCc1ccc(C)cc1)CC1CCCO1
InChIInChI=1S/C16H23NO2/c1-13-5-7-15(8-6-13)9-10-17(14(2)18)12-16-4-3-11-19-16/h5-8,16H,3-4,9-12H2,1-2H3
InChIKeyWJEOAXRHVZURTH-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.57
Rot. Bonds5

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

N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 71993848) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID71993848
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCC(=O)N(CCc1ccc(C)cc1)CC1CCCO1
InChIInChI=1S/C16H23NO2/c1-13-5-7-15(8-6-13)9-10-17(14(2)18)12-16-4-3-11-19-16/h5-8,16H,3-4,9-12H2,1-2H3
InChIKeyWJEOAXRHVZURTH-UHFFFAOYSA-N
XLogP2.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119805841
4-[2-(4-methylphenyl)ethyl-(oxolan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673914
N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)-2H-triazole-4-carboxamide
CID 71993854
3-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119805868
3-amino-N-[2-(4-methylphenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide
CID 96568637
4-amino-3-methoxy-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)butanamide;hydrochloride
CID 120593485
3-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 71993852
N-[2-(4-methylphenyl)ethyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-4-carboxamide
CID 97070355
N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-2-(4-methylphenoxy)acetamide
CID 113053433
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-4-methylsulfanyl-N-(oxolan-2-ylmethyl)butanamide
CID 119336274
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113053462
N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119805871

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)acetamide (CID 71993848) is N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)acetamide is CC(=O)N(CCc1ccc(C)cc1)CC1CCCO1.
What is the InChIKey of N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is WJEOAXRHVZURTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13-5-7-15(8-6-13)9-10-17(14(2)18)12-16-4-3-11-19-16/h5-8,16H,3-4,9-12H2,1-2H3.
What are the key properties of N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)acetamide?
N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 71993848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).