N-[2-(2-hydroxyethyl)pentyl]-2,4-dimethylbenzamide

C16H25NO2 — CID 103722758

IUPACN-[2-(2-hydroxyethyl)pentyl]-2,4-dimethylbenzamide
SMILESCCCC(CCO)CNC(=O)c1ccc(C)cc1C
InChIInChI=1S/C16H25NO2/c1-4-5-14(8-9-18)11-17-16(19)15-7-6-12(2)10-13(15)3/h6-7,10,14,18H,4-5,8-9,11H2,1-3H3,(H,17,19)
InChIKeyAXQBFTUDFZKHAF-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.83
Rot. Bonds7

About N-[2-(2-hydroxyethyl)pentyl]-2,4-dimethylbenzamide

N-[2-(2-hydroxyethyl)pentyl]-2,4-dimethylbenzamide (PubChem CID 103722758) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-2,4-dimethylbenzamide
PubChem CID103722758
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-2,4-dimethylbenzamide
SMILESCCCC(CCO)CNC(=O)c1ccc(C)cc1C
InChIInChI=1S/C16H25NO2/c1-4-5-14(8-9-18)11-17-16(19)15-7-6-12(2)10-13(15)3/h6-7,10,14,18H,4-5,8-9,11H2,1-3H3,(H,17,19)
InChIKeyAXQBFTUDFZKHAF-UHFFFAOYSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-hydroxyethyl)pentyl]-2,5-dimethylbenzamide
CID 103725617
2-chloro-N-[2-(2-hydroxyethyl)pentyl]-4-methylbenzamide
CID 106509848
2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide
CID 111697266
2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylbenzamide
CID 111697393
N-[2-(2-hydroxyethyl)pentyl]-5-methyl-2-nitrobenzamide
CID 103725717
5-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylbenzamide
CID 103725574
N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide
CID 103722617
2,5-dichloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103725481
N-[(2R)-2-(2-hydroxyethyl)pentyl]-3-methyl-4-nitrobenzamide
CID 96525519
2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103722702
2-(2,5-dimethylphenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725594
4-chloro-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide
CID 103722901

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-2,4-dimethylbenzamide (CID 103722758) is N-[2-(2-hydroxyethyl)pentyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-2,4-dimethylbenzamide is CCCC(CCO)CNC(=O)c1ccc(C)cc1C.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-2,4-dimethylbenzamide?
The InChIKey is AXQBFTUDFZKHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-5-14(8-9-18)11-17-16(19)15-7-6-12(2)10-13(15)3/h6-7,10,14,18H,4-5,8-9,11H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-2,4-dimethylbenzamide?
N-[2-(2-hydroxyethyl)pentyl]-2,4-dimethylbenzamide has a molecular weight of 263.38 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 103722758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).