N-[(4-ethoxy-3-methylphenyl)methyl]-2-(hydroxymethyl)butanamide

C15H23NO3 — CID 115186556

IUPACN-[(4-ethoxy-3-methylphenyl)methyl]-2-(hydroxymethyl)butanamide
SMILESCCOc1ccc(CNC(=O)C(CC)CO)cc1C
InChIInChI=1S/C15H23NO3/c1-4-13(10-17)15(18)16-9-12-6-7-14(19-5-2)11(3)8-12/h6-8,13,17H,4-5,9-10H2,1-3H3,(H,16,18)
InChIKeyUPKNEFKGWSTZBQ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.03
Rot. Bonds7

About N-[(4-ethoxy-3-methylphenyl)methyl]-2-(hydroxymethyl)butanamide

N-[(4-ethoxy-3-methylphenyl)methyl]-2-(hydroxymethyl)butanamide (PubChem CID 115186556) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methylphenyl)methyl]-2-(hydroxymethyl)butanamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methylphenyl)methyl]-2-(hydroxymethyl)butanamide
PubChem CID115186556
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[(4-ethoxy-3-methylphenyl)methyl]-2-(hydroxymethyl)butanamide
SMILESCCOc1ccc(CNC(=O)C(CC)CO)cc1C
InChIInChI=1S/C15H23NO3/c1-4-13(10-17)15(18)16-9-12-6-7-14(19-5-2)11(3)8-12/h6-8,13,17H,4-5,9-10H2,1-3H3,(H,16,18)
InChIKeyUPKNEFKGWSTZBQ-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 110779755
2-(hydroxymethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide
CID 115186688
4-amino-N-[(4-ethoxy-3-methylphenyl)methyl]pentanamide
CID 115156704
1-[(4-ethoxy-3-methylphenyl)methyl]-3-(2-hydroxy-3-methylpentyl)urea
CID 111338556
N-[(4-ethoxy-3-methylphenyl)methyl]furan-2-carboxamide
CID 110781919
1-[(4-ethoxy-3-methylphenyl)methyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111506228
N-[(4-ethoxy-3-methylphenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 115165723
3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylbutanamide
CID 115154979
N-[(4-ethoxy-3-methylphenyl)methyl]azetidine-3-carboxamide
CID 115158856
N-[(4-ethoxy-3-methylphenyl)methyl]-3-methoxybenzamide
CID 110781923
N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)butanamide
CID 43876756
2-(hydroxymethyl)-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 115186573

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methylphenyl)methyl]-2-(hydroxymethyl)butanamide?
The IUPAC name of N-[(4-ethoxy-3-methylphenyl)methyl]-2-(hydroxymethyl)butanamide (CID 115186556) is N-[(4-ethoxy-3-methylphenyl)methyl]-2-(hydroxymethyl)butanamide.
What is the SMILES notation for N-[(4-ethoxy-3-methylphenyl)methyl]-2-(hydroxymethyl)butanamide?
The canonical SMILES for N-[(4-ethoxy-3-methylphenyl)methyl]-2-(hydroxymethyl)butanamide is CCOc1ccc(CNC(=O)C(CC)CO)cc1C.
What is the InChIKey of N-[(4-ethoxy-3-methylphenyl)methyl]-2-(hydroxymethyl)butanamide?
The InChIKey is UPKNEFKGWSTZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-13(10-17)15(18)16-9-12-6-7-14(19-5-2)11(3)8-12/h6-8,13,17H,4-5,9-10H2,1-3H3,(H,16,18).
What are the key properties of N-[(4-ethoxy-3-methylphenyl)methyl]-2-(hydroxymethyl)butanamide?
N-[(4-ethoxy-3-methylphenyl)methyl]-2-(hydroxymethyl)butanamide has a molecular weight of 265.35 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methylphenyl)methyl]-2-(hydroxymethyl)butanamide is sourced from PubChem (CID 115186556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).