N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide

C13H19NO3 — CID 62333656

IUPACN-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)CC(C)O)cc1
InChIInChI=1S/C13H19NO3/c1-10(15)9-14(2)13(16)8-11-4-6-12(17-3)7-5-11/h4-7,10,15H,8-9H2,1-3H3
InChIKeyPKALNGDHEIJZII-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.08
Rot. Bonds5

About N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide

N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide (PubChem CID 62333656) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide
PubChem CID62333656
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)CC(C)O)cc1
InChIInChI=1S/C13H19NO3/c1-10(15)9-14(2)13(16)8-11-4-6-12(17-3)7-5-11/h4-7,10,15H,8-9H2,1-3H3
InChIKeyPKALNGDHEIJZII-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-2-(4-methoxyphenoxy)-N-methylacetamide
CID 62334405
2-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334421
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107024320
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 94010767
N-(2-hydroxypropyl)-N-methyl-2-(4-nitrophenyl)acetamide
CID 62332693
2-[[2-(4-methoxyphenyl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 62032808
2-(4-methoxyphenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 75870188
2-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 78771326
N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 78768556
1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 62620617
N-methyl-N-(2-methylpropyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 78853378
2-(4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287852

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide?
The IUPAC name of N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide (CID 62333656) is N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide is COc1ccc(CC(=O)N(C)CC(C)O)cc1.
What is the InChIKey of N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide?
The InChIKey is PKALNGDHEIJZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(15)9-14(2)13(16)8-11-4-6-12(17-3)7-5-11/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide?
N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide has a molecular weight of 237.30 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 62333656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).