N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide

C15H23NO3 — CID 66106188

IUPACN-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC(C)CCO)cc1
InChIInChI=1S/C15H23NO3/c1-12(9-10-17)11-16-15(18)8-5-13-3-6-14(19-2)7-4-13/h3-4,6-7,12,17H,5,8-11H2,1-2H3,(H,16,18)
InChIKeyHAKFEXQGJBAWPO-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.76
Rot. Bonds8

About N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide

N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide (PubChem CID 66106188) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide
PubChem CID66106188
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC(C)CCO)cc1
InChIInChI=1S/C15H23NO3/c1-12(9-10-17)11-16-15(18)8-5-13-3-6-14(19-2)7-4-13/h3-4,6-7,12,17H,5,8-11H2,1-2H3,(H,16,18)
InChIKeyHAKFEXQGJBAWPO-UHFFFAOYSA-N
XLogP1.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenoxy)propanamide
CID 66109025
N-[2-(2-hydroxyethyl)pentyl]-3-(4-methoxyphenyl)propanamide
CID 103722806
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide
CID 40592074
3-(3-chloro-4-methoxyphenyl)-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66109278
N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride
CID 119498019
N-(2-hydroxy-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
CID 103770855
N-(2-chloro-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
CID 107157225
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
2-[[3-(4-methoxyphenyl)propanoylamino]methyl]-4-methylpentanoic acid
CID 119253241
N-(5-amino-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
CID 106153300
3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 52573357
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide (CID 66106188) is N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCC(C)CCO)cc1.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is HAKFEXQGJBAWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(9-10-17)11-16-15(18)8-5-13-3-6-14(19-2)7-4-13/h3-4,6-7,12,17H,5,8-11H2,1-2H3,(H,16,18).
What are the key properties of N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide?
N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 265.35 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 66106188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).