2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylbenzamide

C16H25NO3 — CID 111697393

IUPAC2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylbenzamide
SMILESCCCC(CCO)CNC(=O)c1ccc(C)c(C)c1O
InChIInChI=1S/C16H25NO3/c1-4-5-13(8-9-18)10-17-16(20)14-7-6-11(2)12(3)15(14)19/h6-7,13,18-19H,4-5,8-10H2,1-3H3,(H,17,20)
InChIKeyDNRGAKDDUAOOLM-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.54
Rot. Bonds7

About 2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylbenzamide

2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylbenzamide (PubChem CID 111697393) 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]-3,4-dimethylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylbenzamide
PubChem CID111697393
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylbenzamide
SMILESCCCC(CCO)CNC(=O)c1ccc(C)c(C)c1O
InChIInChI=1S/C16H25NO3/c1-4-5-13(8-9-18)10-17-16(20)14-7-6-11(2)12(3)15(14)19/h6-7,13,18-19H,4-5,8-10H2,1-3H3,(H,17,20)
InChIKeyDNRGAKDDUAOOLM-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]-3,5-dimethylbenzamide
CID 111697266
5-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylbenzamide
CID 103725574
2-chloro-N-[2-(2-hydroxyethyl)pentyl]-4-methylbenzamide
CID 106509848
2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103722702
N-[2-(2-aminoethyl)pentyl]-2-hydroxy-3-methylbenzamide
CID 106116184
2,5-dichloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103725481
N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide
CID 103722617
4-chloro-N-[2-(2-hydroxyethyl)pentyl]-2-methoxybenzamide
CID 103722901
N-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide
CID 111662354
N-[2-(2-hydroxyethyl)pentyl]-4-methylsulfonylbenzamide
CID 103722829

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylbenzamide?
The IUPAC name of 2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylbenzamide (CID 111697393) is 2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylbenzamide.
What is the SMILES notation for 2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylbenzamide?
The canonical SMILES for 2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylbenzamide is CCCC(CCO)CNC(=O)c1ccc(C)c(C)c1O.
What is the InChIKey of 2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylbenzamide?
The InChIKey is DNRGAKDDUAOOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-5-13(8-9-18)10-17-16(20)14-7-6-11(2)12(3)15(14)19/h6-7,13,18-19H,4-5,8-10H2,1-3H3,(H,17,20).
What are the key properties of 2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylbenzamide?
2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,4-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]-3,4-dimethylbenzamide is sourced from PubChem (CID 111697393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).