2-hydroxy-4-methoxy-N-methyl-N-pentan-2-ylbenzamide

C14H21NO3 — CID 43430281

IUPAC2-hydroxy-4-methoxy-N-methyl-N-pentan-2-ylbenzamide
SMILESCCCC(C)N(C)C(=O)c1ccc(OC)cc1O
InChIInChI=1S/C14H21NO3/c1-5-6-10(2)15(3)14(17)12-8-7-11(18-4)9-13(12)16/h7-10,16H,5-6H2,1-4H3
InChIKeyIRHNNGMQGNCITQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.66
Rot. Bonds5

About 2-hydroxy-4-methoxy-N-methyl-N-pentan-2-ylbenzamide

2-hydroxy-4-methoxy-N-methyl-N-pentan-2-ylbenzamide (PubChem CID 43430281) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-N-methyl-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-N-methyl-N-pentan-2-ylbenzamide
PubChem CID43430281
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-hydroxy-4-methoxy-N-methyl-N-pentan-2-ylbenzamide
SMILESCCCC(C)N(C)C(=O)c1ccc(OC)cc1O
InChIInChI=1S/C14H21NO3/c1-5-6-10(2)15(3)14(17)12-8-7-11(18-4)9-13(12)16/h7-10,16H,5-6H2,1-4H3
InChIKeyIRHNNGMQGNCITQ-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-4-sulfanylidenebutan-2-yl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 63223234
ethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide
CID 144990982
2-fluoro-4-hydroxy-N-methyl-N-pentan-2-ylbenzamide
CID 113355617
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 76928324
2-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid
CID 24711323
N-(2-cyanopropyl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 47402310
N-(4-ethylphenyl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 62003405
N-(3-amino-2-methylpropyl)-N-ethyl-2-hydroxy-4-methoxybenzamide
CID 54987801
N-(1-bromopropan-2-yl)-2,4-dihydroxy-N-methylbenzamide
CID 107726128
N-(1-aminopropan-2-yl)-2,4-dimethoxy-N-methylbenzamide
CID 112701391
2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 60745117
N-(2-aminoethyl)-N-ethyl-2-hydroxy-4-methoxybenzamide
CID 61351225

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-N-methyl-N-pentan-2-ylbenzamide?
The IUPAC name of 2-hydroxy-4-methoxy-N-methyl-N-pentan-2-ylbenzamide (CID 43430281) is 2-hydroxy-4-methoxy-N-methyl-N-pentan-2-ylbenzamide.
What is the SMILES notation for 2-hydroxy-4-methoxy-N-methyl-N-pentan-2-ylbenzamide?
The canonical SMILES for 2-hydroxy-4-methoxy-N-methyl-N-pentan-2-ylbenzamide is CCCC(C)N(C)C(=O)c1ccc(OC)cc1O.
What is the InChIKey of 2-hydroxy-4-methoxy-N-methyl-N-pentan-2-ylbenzamide?
The InChIKey is IRHNNGMQGNCITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-6-10(2)15(3)14(17)12-8-7-11(18-4)9-13(12)16/h7-10,16H,5-6H2,1-4H3.
What are the key properties of 2-hydroxy-4-methoxy-N-methyl-N-pentan-2-ylbenzamide?
2-hydroxy-4-methoxy-N-methyl-N-pentan-2-ylbenzamide has a molecular weight of 251.33 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-N-methyl-N-pentan-2-ylbenzamide is sourced from PubChem (CID 43430281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).