N-(1-hydroxybutan-2-yl)-4-(3-methylphenoxy)butanamide

C15H23NO3 — CID 43390335

IUPACN-(1-hydroxybutan-2-yl)-4-(3-methylphenoxy)butanamide
SMILESCCC(CO)NC(=O)CCCOc1cccc(C)c1
InChIInChI=1S/C15H23NO3/c1-3-13(11-17)16-15(18)8-5-9-19-14-7-4-6-12(2)10-14/h4,6-7,10,13,17H,3,5,8-9,11H2,1-2H3,(H,16,18)
InChIKeyVVTDZTVJIPGACV-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.04
Rot. Bonds8

About N-(1-hydroxybutan-2-yl)-4-(3-methylphenoxy)butanamide

N-(1-hydroxybutan-2-yl)-4-(3-methylphenoxy)butanamide (PubChem CID 43390335) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-4-(3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-4-(3-methylphenoxy)butanamide
PubChem CID43390335
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(1-hydroxybutan-2-yl)-4-(3-methylphenoxy)butanamide
SMILESCCC(CO)NC(=O)CCCOc1cccc(C)c1
InChIInChI=1S/C15H23NO3/c1-3-13(11-17)16-15(18)8-5-9-19-14-7-4-6-12(2)10-14/h4,6-7,10,13,17H,3,5,8-9,11H2,1-2H3,(H,16,18)
InChIKeyVVTDZTVJIPGACV-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5-(3-methylphenoxy)pentanamide
CID 99790743
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-(3-methylphenoxy)butanamide
CID 103798718
N-[(2R)-1-hydroxybutan-2-yl]-3-phenoxypropanamide
CID 93032349
(2S,3R)-3-hydroxy-2-[4-(3-methylphenoxy)butanoylamino]butanoic acid
CID 104965093
N-[(2S)-1-hydroxybutan-2-yl]-2-(3-methylphenoxy)propanamide
CID 104981564
(2S)-3-methyl-2-[3-(3-methylphenoxy)propanoylamino]pentanoic acid
CID 61174129
5-(3-methylphenoxy)-N-[(1R)-1-pyridin-4-ylpropyl]pentanamide
CID 95776404
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
N-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide
CID 103919173
4-methyl-1-(3-methylphenoxy)hexan-3-one
CID 105119467
N-(4-hydroxy-2-methylbutyl)-4-(3-methylphenoxy)butanamide
CID 66107103
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-(3-methylphenoxy)butanamide
CID 46469859

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-4-(3-methylphenoxy)butanamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-4-(3-methylphenoxy)butanamide (CID 43390335) is N-(1-hydroxybutan-2-yl)-4-(3-methylphenoxy)butanamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-4-(3-methylphenoxy)butanamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-4-(3-methylphenoxy)butanamide is CCC(CO)NC(=O)CCCOc1cccc(C)c1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-4-(3-methylphenoxy)butanamide?
The InChIKey is VVTDZTVJIPGACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-13(11-17)16-15(18)8-5-9-19-14-7-4-6-12(2)10-14/h4,6-7,10,13,17H,3,5,8-9,11H2,1-2H3,(H,16,18).
What are the key properties of N-(1-hydroxybutan-2-yl)-4-(3-methylphenoxy)butanamide?
N-(1-hydroxybutan-2-yl)-4-(3-methylphenoxy)butanamide has a molecular weight of 265.35 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-4-(3-methylphenoxy)butanamide is sourced from PubChem (CID 43390335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).