N-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide

C14H21NO3 — CID 111695957

IUPACN-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccccc1CC(=O)N(C)CCC(C)O
InChIInChI=1S/C14H21NO3/c1-11(16)8-9-15(2)14(17)10-12-6-4-5-7-13(12)18-3/h4-7,11,16H,8-10H2,1-3H3
InChIKeyYZXZAUCLZYTZTD-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.47
Rot. Bonds6

About N-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide

N-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide (PubChem CID 111695957) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide
PubChem CID111695957
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccccc1CC(=O)N(C)CCC(C)O
InChIInChI=1S/C14H21NO3/c1-11(16)8-9-15(2)14(17)10-12-6-4-5-7-13(12)18-3/h4-7,11,16H,8-10H2,1-3H3
InChIKeyYZXZAUCLZYTZTD-UHFFFAOYSA-N
XLogP1.47
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxybutyl)-2-(2-hydroxyphenyl)-N-methylacetamide
CID 115693680
N-(3-hydroxybutyl)-N-methyl-2-naphthalen-1-ylacetamide
CID 111695871
2-(2-methoxyphenyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 9475937
2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxybutyl)-N-methylacetamide
CID 115691558
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 54992117
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 110733094
N-[2-(diethylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 134049675
2-(4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287852
2-(2-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylethyl)acetamide
CID 110753277
N-(3-amino-4-methylpentyl)-2-[2-(difluoromethoxy)phenyl]-N-methylacetamide
CID 119659145
2-(2-methoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 110724807
N-(3-hydroxybutyl)-2,3,4-trimethoxy-N-methylbenzamide
CID 115673465

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide?
The IUPAC name of N-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide (CID 111695957) is N-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for N-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide is COc1ccccc1CC(=O)N(C)CCC(C)O.
What is the InChIKey of N-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide?
The InChIKey is YZXZAUCLZYTZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(16)8-9-15(2)14(17)10-12-6-4-5-7-13(12)18-3/h4-7,11,16H,8-10H2,1-3H3.
What are the key properties of N-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide?
N-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide has a molecular weight of 251.33 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 111695957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).