N-(5-hydroxypentyl)-3-(2-hydroxypropan-2-yl)benzamide

C15H23NO3 — CID 110486103

IUPACN-(5-hydroxypentyl)-3-(2-hydroxypropan-2-yl)benzamide
SMILESCC(C)(O)c1cccc(C(=O)NCCCCCO)c1
InChIInChI=1S/C15H23NO3/c1-15(2,19)13-8-6-7-12(11-13)14(18)16-9-4-3-5-10-17/h6-8,11,17,19H,3-5,9-10H2,1-2H3,(H,16,18)
InChIKeyYSEJVFYJTNBLFX-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.81
Rot. Bonds7

About N-(5-hydroxypentyl)-3-(2-hydroxypropan-2-yl)benzamide

N-(5-hydroxypentyl)-3-(2-hydroxypropan-2-yl)benzamide (PubChem CID 110486103) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-3-(2-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-3-(2-hydroxypropan-2-yl)benzamide
PubChem CID110486103
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(5-hydroxypentyl)-3-(2-hydroxypropan-2-yl)benzamide
SMILESCC(C)(O)c1cccc(C(=O)NCCCCCO)c1
InChIInChI=1S/C15H23NO3/c1-15(2,19)13-8-6-7-12(11-13)14(18)16-9-4-3-5-10-17/h6-8,11,17,19H,3-5,9-10H2,1-2H3,(H,16,18)
InChIKeyYSEJVFYJTNBLFX-UHFFFAOYSA-N
XLogP1.81
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxypropan-2-yl)-N-(3-hydroxypropyl)benzamide
CID 110486052
N-(3-formamidopropyl)-3-(2-hydroxypropan-2-yl)benzamide
CID 110486069
methyl 3-(6-hydroxyhexylcarbamoyl)benzoate
CID 108799701
3-bromo-N-(5-hydroxypentyl)benzamide
CID 107317897
3-acetamido-N-(4-hydroxybutyl)benzamide
CID 106843063
N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-hydroxypropan-2-yl)benzamide
CID 110486078
N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide
CID 91445268
N-(2,2-dimethoxyethyl)-3-(2-hydroxypropan-2-yl)benzamide
CID 110486080
3-tert-butyl-N-[2-(tert-butylamino)ethyl]benzamide
CID 134167211
3,4-diethoxy-N-(5-hydroxypentyl)benzamide
CID 107319057
N-(6-hydroxyhexyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 46738029
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-3-(2-hydroxypropan-2-yl)benzamide?
The IUPAC name of N-(5-hydroxypentyl)-3-(2-hydroxypropan-2-yl)benzamide (CID 110486103) is N-(5-hydroxypentyl)-3-(2-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for N-(5-hydroxypentyl)-3-(2-hydroxypropan-2-yl)benzamide?
The canonical SMILES for N-(5-hydroxypentyl)-3-(2-hydroxypropan-2-yl)benzamide is CC(C)(O)c1cccc(C(=O)NCCCCCO)c1.
What is the InChIKey of N-(5-hydroxypentyl)-3-(2-hydroxypropan-2-yl)benzamide?
The InChIKey is YSEJVFYJTNBLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,19)13-8-6-7-12(11-13)14(18)16-9-4-3-5-10-17/h6-8,11,17,19H,3-5,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-(5-hydroxypentyl)-3-(2-hydroxypropan-2-yl)benzamide?
N-(5-hydroxypentyl)-3-(2-hydroxypropan-2-yl)benzamide has a molecular weight of 265.35 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-3-(2-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 110486103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).