N-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide

C14H21NO3 — CID 103769303

IUPACN-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide
SMILESCOCC(O)CN(C)C(=O)c1c(C)cccc1C
InChIInChI=1S/C14H21NO3/c1-10-6-5-7-11(2)13(10)14(17)15(3)8-12(16)9-18-4/h5-7,12,16H,8-9H2,1-4H3
InChIKeyNJJKQIWOYYCVOY-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.38
Rot. Bonds5

About N-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide

N-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide (PubChem CID 103769303) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide
PubChem CID103769303
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide
SMILESCOCC(O)CN(C)C(=O)c1c(C)cccc1C
InChIInChI=1S/C14H21NO3/c1-10-6-5-7-11(2)13(10)14(17)15(3)8-12(16)9-18-4/h5-7,12,16H,8-9H2,1-4H3
InChIKeyNJJKQIWOYYCVOY-UHFFFAOYSA-N
XLogP1.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-N,2,6-trimethylbenzamide
CID 103769304
N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide
CID 111695079
3-(2-ethyl-6-methylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 110903869
N-(2-hydroxy-3-methoxypropyl)-N-methyl-6-(methylamino)pyridine-2-carboxamide
CID 62233791
N-(2-chloro-3-methoxypropyl)-2,6-dimethoxy-N-methylbenzamide
CID 63397918
N-(2-bromo-3-methoxypropyl)-N,2-dimethyl-6-nitrobenzamide
CID 80671334
5-bromo-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylfuran-2-carboxamide
CID 111695089
N-(2-hydroxy-3-methoxypropyl)-N,6-dimethylpyridine-3-carboxamide
CID 54993418
3,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 103892640
N-(2-cyanopropyl)-N,2,6-trimethylbenzamide
CID 113258335
3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide
CID 54993258
4-(ethylamino)-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbenzamide
CID 63213865

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide (CID 103769303) is N-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide is COCC(O)CN(C)C(=O)c1c(C)cccc1C.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide?
The InChIKey is NJJKQIWOYYCVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-6-5-7-11(2)13(10)14(17)15(3)8-12(16)9-18-4/h5-7,12,16H,8-9H2,1-4H3.
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide?
N-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide has a molecular weight of 251.33 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide is sourced from PubChem (CID 103769303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).