N-(2-hydroxypropyl)-N-methyl-2-(2-methylphenoxy)acetamide

C13H19NO3 — CID 62333062

IUPACN-(2-hydroxypropyl)-N-methyl-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)N(C)CC(C)O
InChIInChI=1S/C13H19NO3/c1-10-6-4-5-7-12(10)17-9-13(16)14(3)8-11(2)15/h4-7,11,15H,8-9H2,1-3H3
InChIKeyMPVSBCSGIUSOIH-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.21
Rot. Bonds5

About N-(2-hydroxypropyl)-N-methyl-2-(2-methylphenoxy)acetamide

N-(2-hydroxypropyl)-N-methyl-2-(2-methylphenoxy)acetamide (PubChem CID 62333062) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-2-(2-methylphenoxy)acetamide
PubChem CID62333062
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(2-hydroxypropyl)-N-methyl-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)N(C)CC(C)O
InChIInChI=1S/C13H19NO3/c1-10-6-4-5-7-12(10)17-9-13(16)14(3)8-11(2)15/h4-7,11,15H,8-9H2,1-3H3
InChIKeyMPVSBCSGIUSOIH-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenoxy)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334574
N-(cyclopropylmethyl)-N-methyl-2-(2-methylphenoxy)acetamide
CID 94158151
ethyl 2-[[2-(2-methylphenoxy)acetyl]-propan-2-ylamino]acetate
CID 61022066
N-[(2R)-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 83032241
N-(3-methylbutan-2-yl)-2-(2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 86895863
N-(2-hydroxypropyl)-2-(4-methoxyphenoxy)-N-methylacetamide
CID 62334405
N-methyl-2-(2-methylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134047158
4-(2-ethoxyphenoxy)-N-[(2S)-2-hydroxypropyl]-N-methylbutanamide
CID 95971990
(2R)-2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]-N-methylpropanamide
CID 100561244
3-methyl-5-[methyl-[2-(2-methylphenoxy)ethyl]amino]-5-oxopentanoic acid
CID 62964902
N-methyl-N-(2-methylbutyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 86934031
N-cycloheptyl-N-methyl-2-(2-methylphenoxy)acetamide
CID 55468950

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-2-(2-methylphenoxy)acetamide (CID 62333062) is N-(2-hydroxypropyl)-N-methyl-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)N(C)CC(C)O.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-2-(2-methylphenoxy)acetamide?
The InChIKey is MPVSBCSGIUSOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10-6-4-5-7-12(10)17-9-13(16)14(3)8-11(2)15/h4-7,11,15H,8-9H2,1-3H3.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-2-(2-methylphenoxy)acetamide?
N-(2-hydroxypropyl)-N-methyl-2-(2-methylphenoxy)acetamide has a molecular weight of 237.30 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methyl-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 62333062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).