N-methyl-2-(2-methylphenyl)-N-(oxan-4-ylmethyl)acetamide

C16H23NO2 — CID 91914999

IUPACN-methyl-2-(2-methylphenyl)-N-(oxan-4-ylmethyl)acetamide
SMILESCc1ccccc1CC(=O)N(C)CC1CCOCC1
InChIInChI=1S/C16H23NO2/c1-13-5-3-4-6-15(13)11-16(18)17(2)12-14-7-9-19-10-8-14/h3-6,14H,7-12H2,1-2H3
InChIKeyRJCFIEAFHVRYPZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.42
Rot. Bonds4

About N-methyl-2-(2-methylphenyl)-N-(oxan-4-ylmethyl)acetamide

N-methyl-2-(2-methylphenyl)-N-(oxan-4-ylmethyl)acetamide (PubChem CID 91914999) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-methyl-2-(2-methylphenyl)-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-methylphenyl)-N-(oxan-4-ylmethyl)acetamide
PubChem CID91914999
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-methyl-2-(2-methylphenyl)-N-(oxan-4-ylmethyl)acetamide
SMILESCc1ccccc1CC(=O)N(C)CC1CCOCC1
InChIInChI=1S/C16H23NO2/c1-13-5-3-4-6-15(13)11-16(18)17(2)12-14-7-9-19-10-8-14/h3-6,14H,7-12H2,1-2H3
InChIKeyRJCFIEAFHVRYPZ-UHFFFAOYSA-N
XLogP2.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide
CID 110752415
3-(2,6-dimethylphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91905258
N-methyl-N-(oxolan-3-ylmethyl)-2-phenylacetamide
CID 110875875
N-methyl-2-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110753270
(2R)-2-amino-N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide
CID 63706468
3-[methyl(oxan-4-ylmethyl)amino]-1-(2-methylphenyl)propan-1-one
CID 63711302
N-methyl-N-(oxan-4-ylmethyl)-2,2-diphenylacetamide
CID 110752410
3-(2,6-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875844
N-[(2-methylphenyl)methyl]-2-(oxan-4-yl)-N-prop-2-enylacetamide
CID 50984697
benzyl N-methyl-N-(oxan-4-ylmethyl)carbamate
CID 110752436
N-[(3-bromocyclobutyl)methyl]-N-methyl-3-(2-methylphenyl)propanamide
CID 80672869
3-methyl-2-[methyl(oxan-4-ylmethyl)amino]benzoic acid
CID 107112201

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylphenyl)-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-(2-methylphenyl)-N-(oxan-4-ylmethyl)acetamide (CID 91914999) is N-methyl-2-(2-methylphenyl)-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-(2-methylphenyl)-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-(2-methylphenyl)-N-(oxan-4-ylmethyl)acetamide is Cc1ccccc1CC(=O)N(C)CC1CCOCC1.
What is the InChIKey of N-methyl-2-(2-methylphenyl)-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is RJCFIEAFHVRYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13-5-3-4-6-15(13)11-16(18)17(2)12-14-7-9-19-10-8-14/h3-6,14H,7-12H2,1-2H3.
What are the key properties of N-methyl-2-(2-methylphenyl)-N-(oxan-4-ylmethyl)acetamide?
N-methyl-2-(2-methylphenyl)-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylphenyl)-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 91914999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).