2-(hydroxymethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide

C15H23NO3 — CID 115186688

IUPAC2-(hydroxymethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide
SMILESCCC(CO)C(=O)NCCc1ccc(OC)c(C)c1
InChIInChI=1S/C15H23NO3/c1-4-13(10-17)15(18)16-8-7-12-5-6-14(19-3)11(2)9-12/h5-6,9,13,17H,4,7-8,10H2,1-3H3,(H,16,18)
InChIKeyMUHUKYAUFWSBBO-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.68
Rot. Bonds7

About 2-(hydroxymethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide

2-(hydroxymethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide (PubChem CID 115186688) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide
PubChem CID115186688
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(hydroxymethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide
SMILESCCC(CO)C(=O)NCCc1ccc(OC)c(C)c1
InChIInChI=1S/C15H23NO3/c1-4-13(10-17)15(18)16-8-7-12-5-6-14(19-3)11(2)9-12/h5-6,9,13,17H,4,7-8,10H2,1-3H3,(H,16,18)
InChIKeyMUHUKYAUFWSBBO-UHFFFAOYSA-N
XLogP1.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186690
2-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 110779755
2-(hydroxymethyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]butanamide
CID 115186689
2-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]butanamide
CID 115186724
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-5-hydroxypentanamide
CID 165352389
N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide
CID 115175869
2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]butanamide
CID 115187036
N-[(4-ethoxy-3-methylphenyl)methyl]-2-(hydroxymethyl)butanamide
CID 115186556
3-[2-(4-methoxy-3-methylphenyl)ethylamino]-3-oxopropanoic acid
CID 115163503
propyl N-[2-(4-methoxy-3-methylphenyl)ethyl]carbamate
CID 23563495
methyl 2-[(4-methoxy-3-methylphenyl)methyl]butanoate
CID 116931262
N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186693

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide?
The IUPAC name of 2-(hydroxymethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide (CID 115186688) is 2-(hydroxymethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide?
The canonical SMILES for 2-(hydroxymethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide is CCC(CO)C(=O)NCCc1ccc(OC)c(C)c1.
What is the InChIKey of 2-(hydroxymethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide?
The InChIKey is MUHUKYAUFWSBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-13(10-17)15(18)16-8-7-12-5-6-14(19-3)11(2)9-12/h5-6,9,13,17H,4,7-8,10H2,1-3H3,(H,16,18).
What are the key properties of 2-(hydroxymethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide?
2-(hydroxymethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide has a molecular weight of 265.35 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide is sourced from PubChem (CID 115186688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).