2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide

C16H25NO3 — CID 111697266

IUPAC2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide
SMILESCCCC(CCO)CNC(=O)c1cc(C)cc(C)c1O
InChIInChI=1S/C16H25NO3/c1-4-5-13(6-7-18)10-17-16(20)14-9-11(2)8-12(3)15(14)19/h8-9,13,18-19H,4-7,10H2,1-3H3,(H,17,20)
InChIKeyFGRFJXTWSHEXAH-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.54
Rot. Bonds7

About 2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide

2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide (PubChem CID 111697266) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide
PubChem CID111697266
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide
SMILESCCCC(CCO)CNC(=O)c1cc(C)cc(C)c1O
InChIInChI=1S/C16H25NO3/c1-4-5-13(6-7-18)10-17-16(20)14-9-11(2)8-12(3)15(14)19/h8-9,13,18-19H,4-7,10H2,1-3H3,(H,17,20)
InChIKeyFGRFJXTWSHEXAH-UHFFFAOYSA-N
XLogP2.54
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-hydroxyethyl)pentyl]-2,5-dimethylbenzamide
CID 103725617
N-[2-(2-hydroxyethyl)pentyl]-2,4-dimethylbenzamide
CID 103722758
2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylbenzamide
CID 111697393
N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide
CID 103722617
2-hydroxy-N-(2-hydroxypropyl)-3,5-dimethylbenzamide
CID 109400562
2-chloro-N-[2-(2-hydroxyethyl)pentyl]-4-methylbenzamide
CID 106509848
5-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylbenzamide
CID 103725574
N-[2-(2-hydroxyethyl)pentyl]-5-methyl-2-nitrobenzamide
CID 103725717
2,5-dichloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103725481
2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103722702
N-[2-(2-aminoethyl)pentyl]-2-hydroxy-3-methylbenzamide
CID 106116184
N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 111662305

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide?
The IUPAC name of 2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide (CID 111697266) is 2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide.
What is the SMILES notation for 2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide?
The canonical SMILES for 2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide is CCCC(CCO)CNC(=O)c1cc(C)cc(C)c1O.
What is the InChIKey of 2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide?
The InChIKey is FGRFJXTWSHEXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-5-13(6-7-18)10-17-16(20)14-9-11(2)8-12(3)15(14)19/h8-9,13,18-19H,4-7,10H2,1-3H3,(H,17,20).
What are the key properties of 2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide?
2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide has a molecular weight of 279.38 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 111697266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).