N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide

C13H19NO3 — CID 61166501

IUPACN-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(C)(C)C)c1O
InChIInChI=1S/C13H19NO3/c1-13(2,3)8-14-12(16)9-6-5-7-10(17-4)11(9)15/h5-7,15H,8H2,1-4H3,(H,14,16)
InChIKeyKHQICQPPMCVPQX-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.18
Rot. Bonds3

About N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide

N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide (PubChem CID 61166501) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide
PubChem CID61166501
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(C)(C)C)c1O
InChIInChI=1S/C13H19NO3/c1-13(2,3)8-14-12(16)9-6-5-7-10(17-4)11(9)15/h5-7,15H,8H2,1-4H3,(H,14,16)
InChIKeyKHQICQPPMCVPQX-UHFFFAOYSA-N
XLogP2.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
CID 65109444
N-(4-chloro-2,2-dimethylbutyl)-2-hydroxy-3-methoxybenzamide
CID 114149304
2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 60724227
N-(2-ethylbutyl)-2-hydroxy-3-methoxybenzamide
CID 115613558
N-(3,3-dimethylbutan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 115622767
N-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide
CID 62656877
N-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide
CID 65110006
2,3-dihydroxy-N'-(2-hydroxy-3-methoxybenzoyl)benzohydrazide
CID 24773714
N-(2-amino-2-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride
CID 119630210
2-[(2-hydroxy-3-methoxybenzoyl)amino]ethyl carbamate
CID 83203383
2-hydroxy-N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 43420679
N-[(4-chlorophenyl)methyl]-2-hydroxy-3-methoxybenzamide
CID 11748334

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide (CID 61166501) is N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide is COc1cccc(C(=O)NCC(C)(C)C)c1O.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide?
The InChIKey is KHQICQPPMCVPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,3)8-14-12(16)9-6-5-7-10(17-4)11(9)15/h5-7,15H,8H2,1-4H3,(H,14,16).
What are the key properties of N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide?
N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide has a molecular weight of 237.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 61166501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).