N-(1-hydroxy-3-methylbutan-2-yl)-3-(4-methoxyphenyl)propanamide

C15H23NO3 — CID 79256223

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC(CO)C(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-11(2)14(10-17)16-15(18)9-6-12-4-7-13(19-3)8-5-12/h4-5,7-8,11,14,17H,6,9-10H2,1-3H3,(H,16,18)
InChIKeyUXLKANWXGSPLLD-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.76
Rot. Bonds7

About N-(1-hydroxy-3-methylbutan-2-yl)-3-(4-methoxyphenyl)propanamide

N-(1-hydroxy-3-methylbutan-2-yl)-3-(4-methoxyphenyl)propanamide (PubChem CID 79256223) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-3-(4-methoxyphenyl)propanamide
PubChem CID79256223
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC(CO)C(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-11(2)14(10-17)16-15(18)9-6-12-4-7-13(19-3)8-5-12/h4-5,7-8,11,14,17H,6,9-10H2,1-3H3,(H,16,18)
InChIKeyUXLKANWXGSPLLD-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 94665559
N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 93032401
N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 126417347
N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 62093484
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 79246128
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide
CID 40592074
(2S)-2-[2-(4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
CID 79249013
(2S)-2-[4-(4-methoxyphenyl)butanoylamino]-3-methylbutanoic acid
CID 94966651
(2S)-2-[3-(4-methoxyphenyl)propanoylamino]butanedioic acid
CID 112732957
3-(4-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 51187923
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91637144

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-3-(4-methoxyphenyl)propanamide (CID 79256223) is N-(1-hydroxy-3-methylbutan-2-yl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NC(CO)C(C)C)cc1.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is UXLKANWXGSPLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)14(10-17)16-15(18)9-6-12-4-7-13(19-3)8-5-12/h4-5,7-8,11,14,17H,6,9-10H2,1-3H3,(H,16,18).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-3-(4-methoxyphenyl)propanamide?
N-(1-hydroxy-3-methylbutan-2-yl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 265.35 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 79256223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).