2-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide

C15H23NO3 — CID 62539688

IUPAC2-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
SMILESCOCC(O)CN(C)C(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C15H23NO3/c1-11-5-6-12(2)13(7-11)8-15(18)16(3)9-14(17)10-19-4/h5-7,14,17H,8-10H2,1-4H3
InChIKeyOXANFKKMJNIJLR-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.31
Rot. Bonds6

About 2-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide

2-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide (PubChem CID 62539688) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
PubChem CID62539688
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
SMILESCOCC(O)CN(C)C(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C15H23NO3/c1-11-5-6-12(2)13(7-11)8-15(18)16(3)9-14(17)10-19-4/h5-7,14,17H,8-10H2,1-4H3
InChIKeyOXANFKKMJNIJLR-UHFFFAOYSA-N
XLogP1.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 80666132
2-(2,4-dichlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
CID 54993871
N-(2-cyanopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 62539504
2-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-oxoethyl]benzoic acid
CID 104601486
2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]acetic acid
CID 62538496
2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxy-3-methoxypropyl)-N,5-dimethylbenzamide
CID 111695032
N-(2-hydroxy-3-methoxypropyl)-N,5-dimethyl-2-nitrobenzamide
CID 65462637
2-(2,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844756
N-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide
CID 103769303
2,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 113347205
3-(2,5-dimethoxyphenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylpropanamide
CID 95972002
2-(5-amino-2-pyridinyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
CID 107338519

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide (CID 62539688) is 2-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide is COCC(O)CN(C)C(=O)Cc1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide?
The InChIKey is OXANFKKMJNIJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-5-6-12(2)13(7-11)8-15(18)16(3)9-14(17)10-19-4/h5-7,14,17H,8-10H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide?
2-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide has a molecular weight of 265.35 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide is sourced from PubChem (CID 62539688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).