N-(4-hydroxybutyl)-3-(2-methylpropoxy)benzamide

C15H23NO3 — CID 106842963

IUPACN-(4-hydroxybutyl)-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)NCCCCO)c1
InChIInChI=1S/C15H23NO3/c1-12(2)11-19-14-7-5-6-13(10-14)15(18)16-8-3-4-9-17/h5-7,10,12,17H,3-4,8-9,11H2,1-2H3,(H,16,18)
InChIKeyUKLWZCAYQAFQEE-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.22
Rot. Bonds8

About N-(4-hydroxybutyl)-3-(2-methylpropoxy)benzamide

N-(4-hydroxybutyl)-3-(2-methylpropoxy)benzamide (PubChem CID 106842963) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-3-(2-methylpropoxy)benzamide
PubChem CID106842963
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(4-hydroxybutyl)-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)NCCCCO)c1
InChIInChI=1S/C15H23NO3/c1-12(2)11-19-14-7-5-6-13(10-14)15(18)16-8-3-4-9-17/h5-7,10,12,17H,3-4,8-9,11H2,1-2H3,(H,16,18)
InChIKeyUKLWZCAYQAFQEE-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
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-(3-hydroxy-2-methylpropyl)-3-(2-methylpropoxy)benzamide
CID 65037333
N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide
CID 83030958
2-hydroxy-3-[[3-(2-methylpropoxy)benzoyl]amino]propanoic acid
CID 66168078
4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide
CID 17233376
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-methylpropoxy)benzamide
CID 107845536
3-(5-hydroxypentoxy)-N-[(2S)-2-hydroxypropyl]benzamide
CID 97221199
N-[2-[2-[2-[3-(butan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-3-(2-methylpropoxy)benzamide
CID 170145792
4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide
CID 4938333
methyl 3-(6-hydroxyhexylcarbamoyl)benzoate
CID 108799701
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-[(3-hydroxycyclobutyl)methyl]-3-(2-methylpropoxy)benzamide
CID 66007075

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-(4-hydroxybutyl)-3-(2-methylpropoxy)benzamide (CID 106842963) is N-(4-hydroxybutyl)-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(4-hydroxybutyl)-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(4-hydroxybutyl)-3-(2-methylpropoxy)benzamide is CC(C)COc1cccc(C(=O)NCCCCO)c1.
What is the InChIKey of N-(4-hydroxybutyl)-3-(2-methylpropoxy)benzamide?
The InChIKey is UKLWZCAYQAFQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(2)11-19-14-7-5-6-13(10-14)15(18)16-8-3-4-9-17/h5-7,10,12,17H,3-4,8-9,11H2,1-2H3,(H,16,18).
What are the key properties of N-(4-hydroxybutyl)-3-(2-methylpropoxy)benzamide?
N-(4-hydroxybutyl)-3-(2-methylpropoxy)benzamide has a molecular weight of 265.35 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 106842963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).