2-(3,4-dimethylphenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide

C16H23NO3 — CID 107301485

IUPAC2-(3,4-dimethylphenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
SMILESCc1ccc(CC(=O)NCC2(O)CCOC2C)cc1C
InChIInChI=1S/C16H23NO3/c1-11-4-5-14(8-12(11)2)9-15(18)17-10-16(19)6-7-20-13(16)3/h4-5,8,13,19H,6-7,9-10H2,1-3H3,(H,17,18)
InChIKeyRNYYQBVNYRLCBB-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.50
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide

2-(3,4-dimethylphenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide (PubChem CID 107301485) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
PubChem CID107301485
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(3,4-dimethylphenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
SMILESCc1ccc(CC(=O)NCC2(O)CCOC2C)cc1C
InChIInChI=1S/C16H23NO3/c1-11-4-5-14(8-12(11)2)9-15(18)17-10-16(19)6-7-20-13(16)3/h4-5,8,13,19H,6-7,9-10H2,1-3H3,(H,17,18)
InChIKeyRNYYQBVNYRLCBB-UHFFFAOYSA-N
XLogP1.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[2-(2-hydroxyethoxy)ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 9922143
(3R)-3-(3,4-dimethylphenyl)-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide
CID 118710048
N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-(m-tolyl)acetamide
CID 56724186
N-[(3-hydroxyoxolan-3-yl)methyl]-3-phenylpropanamide
CID 84590681
rac-(3S,4S)-1-[(2,5-dimethylphenyl)acetyl]-4-methoxypyrrolidin-3-ol
CID 124211843
rac-(3S,4S)-1-[3-(2,4-dimethylphenyl)propanoyl]-4-methoxypyrrolidin-3-ol
CID 124213834
(2R)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]-2-phenylpropanamide
CID 124733638
3-(3,4-dimethylphenyl)-N-[(3S,4S)-4-hydroxyoxan-3-yl]propanamide
CID 164633992
2-(2-fluorophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 75389356
2-(2,3-difluorophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 84590709
2-(2-fluorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
CID 97243040
2-(2-fluorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide
CID 97243041

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide (CID 107301485) is 2-(3,4-dimethylphenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide is Cc1ccc(CC(=O)NCC2(O)CCOC2C)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
The InChIKey is RNYYQBVNYRLCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-4-5-14(8-12(11)2)9-15(18)17-10-16(19)6-7-20-13(16)3/h4-5,8,13,19H,6-7,9-10H2,1-3H3,(H,17,18).
What are the key properties of 2-(3,4-dimethylphenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
2-(3,4-dimethylphenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide has a molecular weight of 277.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide is sourced from PubChem (CID 107301485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).