N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide

C13H19NO3 — CID 118462789

IUPACN-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide
SMILESCOc1c(C)cccc1C(=O)NCC(C)(C)O
InChIInChI=1S/C13H19NO3/c1-9-6-5-7-10(11(9)17-4)12(15)14-8-13(2,3)16/h5-7,16H,8H2,1-4H3,(H,14,15)
InChIKeyDYMFESASOUHYOS-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.50
Rot. Bonds4

About N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide

N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide (PubChem CID 118462789) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide
PubChem CID118462789
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide
SMILESCOc1c(C)cccc1C(=O)NCC(C)(C)O
InChIInChI=1S/C13H19NO3/c1-9-6-5-7-10(11(9)17-4)12(15)14-8-13(2,3)16/h5-7,16H,8H2,1-4H3,(H,14,15)
InChIKeyDYMFESASOUHYOS-UHFFFAOYSA-N
XLogP1.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide
CID 65110006
2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
CID 65109444
N-(2-hydroxy-2-methylpropyl)-2-methoxypyridine-3-carboxamide
CID 65109453
N-(2-amino-2-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride
CID 119630210
3-[(2,3-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368352
2-iodo-N-(2-methoxy-2-methylpropyl)-3-methylbenzamide
CID 103708378
3-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methoxybenzamide
CID 106242351
3-[(2,3-dimethylbenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172550
3-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 106548063
2-hydroxy-3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 66172396
N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-propan-2-ylbenzamide
CID 166023701
3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-methoxybenzamide
CID 106274696

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide (CID 118462789) is N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide is COc1c(C)cccc1C(=O)NCC(C)(C)O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide?
The InChIKey is DYMFESASOUHYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-6-5-7-10(11(9)17-4)12(15)14-8-13(2,3)16/h5-7,16H,8H2,1-4H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide?
N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide is sourced from PubChem (CID 118462789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).