N-(4-hydroxybutyl)-4-propan-2-yloxybenzamide

C14H21NO3 — CID 106843629

IUPACN-(4-hydroxybutyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCCCCO)cc1
InChIInChI=1S/C14H21NO3/c1-11(2)18-13-7-5-12(6-8-13)14(17)15-9-3-4-10-16/h5-8,11,16H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyGXCBOHYGNRITOI-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.98
Rot. Bonds7

About N-(4-hydroxybutyl)-4-propan-2-yloxybenzamide

N-(4-hydroxybutyl)-4-propan-2-yloxybenzamide (PubChem CID 106843629) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-4-propan-2-yloxybenzamide
PubChem CID106843629
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(4-hydroxybutyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCCCCO)cc1
InChIInChI=1S/C14H21NO3/c1-11(2)18-13-7-5-12(6-8-13)14(17)15-9-3-4-10-16/h5-8,11,16H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyGXCBOHYGNRITOI-UHFFFAOYSA-N
XLogP1.98
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-hydroxybutyl)-4-propan-2-yloxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
N-heptyl-4-propan-2-yloxybenzamide
CID 4951873
N-(2-aminoethyl)-4-propan-2-yloxybenzamide
CID 82335676
2-methyl-5-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid
CID 104681875
4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 126821115
N-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide
CID 78796548
(2S)-2-hydroxy-4-[(4-propan-2-yloxybenzoyl)amino]butanoic acid
CID 107833905
N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide
CID 82354283
N-(3-hydroxypropyl)-4-(16-methylheptadecoxy)benzamide
CID 139715444
N-(3-hydroxypropyl)-4-(2-methylpropyl)benzamide
CID 98014815
4-hydroxy-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 98014339
N-[2-oxo-2-(4-phenylbutylamino)ethyl]-4-propan-2-yloxybenzamide
CID 17483571

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(4-hydroxybutyl)-4-propan-2-yloxybenzamide (CID 106843629) is N-(4-hydroxybutyl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(4-hydroxybutyl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(4-hydroxybutyl)-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NCCCCO)cc1.
What is the InChIKey of N-(4-hydroxybutyl)-4-propan-2-yloxybenzamide?
The InChIKey is GXCBOHYGNRITOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(2)18-13-7-5-12(6-8-13)14(17)15-9-3-4-10-16/h5-8,11,16H,3-4,9-10H2,1-2H3,(H,15,17).
What are the key properties of N-(4-hydroxybutyl)-4-propan-2-yloxybenzamide?
N-(4-hydroxybutyl)-4-propan-2-yloxybenzamide has a molecular weight of 251.33 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 106843629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).