N-(3-hydroxypropyl)-4-(2-methylpropyl)benzamide

C14H21NO2 — CID 98014815

IUPACN-(3-hydroxypropyl)-4-(2-methylpropyl)benzamide
SMILESCC(C)Cc1ccc(C(=O)NCCCO)cc1
InChIInChI=1S/C14H21NO2/c1-11(2)10-12-4-6-13(7-5-12)14(17)15-8-3-9-16/h4-7,11,16H,3,8-10H2,1-2H3,(H,15,17)
InChIKeyGZNNCAYJECKEQY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.00
Rot. Bonds6

About N-(3-hydroxypropyl)-4-(2-methylpropyl)benzamide

N-(3-hydroxypropyl)-4-(2-methylpropyl)benzamide (PubChem CID 98014815) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-(2-methylpropyl)benzamide
PubChem CID98014815
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(3-hydroxypropyl)-4-(2-methylpropyl)benzamide
SMILESCC(C)Cc1ccc(C(=O)NCCCO)cc1
InChIInChI=1S/C14H21NO2/c1-11(2)10-12-4-6-13(7-5-12)14(17)15-8-3-9-16/h4-7,11,16H,3,8-10H2,1-2H3,(H,15,17)
InChIKeyGZNNCAYJECKEQY-UHFFFAOYSA-N
XLogP2.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-4-(2-methylpropyl)benzamide
CID 110761239
N-[3-(diethylamino)propyl]-4-(2-methylpropyl)benzamide
CID 59000989
4-(2-methylpropyl)-N-[6-(propanoylamino)hexyl]benzamide
CID 67991258
carbon dioxide;N-(3-hydroxypropyl)-3-(2-methylpropyl)benzamide
CID 157229894
4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide
CID 43500357
4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 59001075
N-(4-hydroxybutyl)-4-propan-2-yloxybenzamide
CID 106843629
N-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide
CID 78796548
N-(3-hydroxypropyl)-4-(16-methylheptadecoxy)benzamide
CID 139715444
4-(2-methylpropyl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]benzamide
CID 172602747
N-(3-hydroxypropyl)-4-[2-[4-(3-hydroxypropylcarbamoyl)phenyl]ethenyl]benzamide
CID 71357848
N-(6-hydroxyhexyl)-4-(methylsulfanylmethyl)benzamide
CID 103919178

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-(2-methylpropyl)benzamide?
The IUPAC name of N-(3-hydroxypropyl)-4-(2-methylpropyl)benzamide (CID 98014815) is N-(3-hydroxypropyl)-4-(2-methylpropyl)benzamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-(2-methylpropyl)benzamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-(2-methylpropyl)benzamide is CC(C)Cc1ccc(C(=O)NCCCO)cc1.
What is the InChIKey of N-(3-hydroxypropyl)-4-(2-methylpropyl)benzamide?
The InChIKey is GZNNCAYJECKEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(2)10-12-4-6-13(7-5-12)14(17)15-8-3-9-16/h4-7,11,16H,3,8-10H2,1-2H3,(H,15,17).
What are the key properties of N-(3-hydroxypropyl)-4-(2-methylpropyl)benzamide?
N-(3-hydroxypropyl)-4-(2-methylpropyl)benzamide has a molecular weight of 235.33 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-(2-methylpropyl)benzamide is sourced from PubChem (CID 98014815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).