2-hydroxy-3,5-dipropylbenzamide

C13H19NO2 — CID 3031784

IUPAC2-hydroxy-3,5-dipropylbenzamide
SMILESCCCc1cc(CCC)c(O)c(C(N)=O)c1
InChIInChI=1S/C13H19NO2/c1-3-5-9-7-10(6-4-2)12(15)11(8-9)13(14)16/h7-8,15H,3-6H2,1-2H3,(H2,14,16)
InChIKeyZAPRGMHJWBOSQR-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.40
Rot. Bonds5

About 2-hydroxy-3,5-dipropylbenzamide

2-hydroxy-3,5-dipropylbenzamide (PubChem CID 3031784) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-hydroxy-3,5-dipropylbenzamide.

Molecular Properties

Compound Name2-hydroxy-3,5-dipropylbenzamide
PubChem CID3031784
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-hydroxy-3,5-dipropylbenzamide
SMILESCCCc1cc(CCC)c(O)c(C(N)=O)c1
InChIInChI=1S/C13H19NO2/c1-3-5-9-7-10(6-4-2)12(15)11(8-9)13(14)16/h7-8,15H,3-6H2,1-2H3,(H2,14,16)
InChIKeyZAPRGMHJWBOSQR-UHFFFAOYSA-N
XLogP2.40
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-fluoro-5-propylbenzamide
CID 58540669
4-ethyl-2,6-dipropylphenol
CID 66879596
4-(hydroxymethyl)-2,6-dipropylphenol
CID 19080389
2-ethyl-6-pentyl-4-propylphenol
CID 66878892
2,3-diethyl-5-(hydroxymethyl)benzamide
CID 174782024
2-hydroxy-3,5-dioctylbenzoic acid;zinc
CID 170425717
2-ethyl-4-methyl-6-propylphenol
CID 66879780
2-butyl-4-pentyl-6-propylphenol
CID 66878895
2-fluoro-4-propylbenzamide
CID 175786906
4-[9-(4-hydroxy-3-methyl-5-propylphenyl)nonyl]-2-methyl-6-propylphenol
CID 57052930
2,5-dipropylbenzoic acid
CID 139904729
2-hydroxy-5,6-dimethoxy-3-propylbenzamide
CID 18625107

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,5-dipropylbenzamide?
The IUPAC name of 2-hydroxy-3,5-dipropylbenzamide (CID 3031784) is 2-hydroxy-3,5-dipropylbenzamide.
What is the SMILES notation for 2-hydroxy-3,5-dipropylbenzamide?
The canonical SMILES for 2-hydroxy-3,5-dipropylbenzamide is CCCc1cc(CCC)c(O)c(C(N)=O)c1.
What is the InChIKey of 2-hydroxy-3,5-dipropylbenzamide?
The InChIKey is ZAPRGMHJWBOSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-5-9-7-10(6-4-2)12(15)11(8-9)13(14)16/h7-8,15H,3-6H2,1-2H3,(H2,14,16).
What are the key properties of 2-hydroxy-3,5-dipropylbenzamide?
2-hydroxy-3,5-dipropylbenzamide has a molecular weight of 221.30 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,5-dipropylbenzamide is sourced from PubChem (CID 3031784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).