N-[2-(3-methylphenyl)ethyl]-2-(oxan-2-yl)acetamide

C16H23NO2 — CID 110627806

IUPACN-[2-(3-methylphenyl)ethyl]-2-(oxan-2-yl)acetamide
SMILESCc1cccc(CCNC(=O)CC2CCCCO2)c1
InChIInChI=1S/C16H23NO2/c1-13-5-4-6-14(11-13)8-9-17-16(18)12-15-7-2-3-10-19-15/h4-6,11,15H,2-3,7-10,12H2,1H3,(H,17,18)
InChIKeyIWUOJVDNVYIANS-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.61
Rot. Bonds5

About N-[2-(3-methylphenyl)ethyl]-2-(oxan-2-yl)acetamide

N-[2-(3-methylphenyl)ethyl]-2-(oxan-2-yl)acetamide (PubChem CID 110627806) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-2-(oxan-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-2-(oxan-2-yl)acetamide
PubChem CID110627806
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[2-(3-methylphenyl)ethyl]-2-(oxan-2-yl)acetamide
SMILESCc1cccc(CCNC(=O)CC2CCCCO2)c1
InChIInChI=1S/C16H23NO2/c1-13-5-4-6-14(11-13)8-9-17-16(18)12-15-7-2-3-10-19-15/h4-6,11,15H,2-3,7-10,12H2,1H3,(H,17,18)
InChIKeyIWUOJVDNVYIANS-UHFFFAOYSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110755294
N-[2-(3-methylphenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163255
N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 62690046
N-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994238
N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-2-(oxan-2-yl)acetamide
CID 110624165
N'-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943614
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylphenyl)ethyl]acetamide
CID 79611025
N-[2-(3-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994281
N-[2-(3-methylphenyl)ethyl]-3-piperidin-2-ylpropanamide
CID 62315398
2-[(3-methylphenyl)methyl]-3-[3-(oxan-2-yl)propanoylamino]propanoic acid
CID 119243325
oxolan-2-ylmethyl 3-(3-methylphenyl)propanoate
CID 78833188
2-(oxolan-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 60769664

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-2-(oxan-2-yl)acetamide?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-2-(oxan-2-yl)acetamide (CID 110627806) is N-[2-(3-methylphenyl)ethyl]-2-(oxan-2-yl)acetamide.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-2-(oxan-2-yl)acetamide?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-2-(oxan-2-yl)acetamide is Cc1cccc(CCNC(=O)CC2CCCCO2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-2-(oxan-2-yl)acetamide?
The InChIKey is IWUOJVDNVYIANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13-5-4-6-14(11-13)8-9-17-16(18)12-15-7-2-3-10-19-15/h4-6,11,15H,2-3,7-10,12H2,1H3,(H,17,18).
What are the key properties of N-[2-(3-methylphenyl)ethyl]-2-(oxan-2-yl)acetamide?
N-[2-(3-methylphenyl)ethyl]-2-(oxan-2-yl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]-2-(oxan-2-yl)acetamide is sourced from PubChem (CID 110627806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).