N-(3,3-dimethylbutan-2-yl)-2-hydroxy-3-methoxybenzamide

C14H21NO3 — CID 115622767

IUPACN-(3,3-dimethylbutan-2-yl)-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(C)C(C)(C)C)c1O
InChIInChI=1S/C14H21NO3/c1-9(14(2,3)4)15-13(17)10-7-6-8-11(18-5)12(10)16/h6-9,16H,1-5H3,(H,15,17)
InChIKeyUDHKERYBKKJVIX-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.57
Rot. Bonds3

About N-(3,3-dimethylbutan-2-yl)-2-hydroxy-3-methoxybenzamide

N-(3,3-dimethylbutan-2-yl)-2-hydroxy-3-methoxybenzamide (PubChem CID 115622767) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-2-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-2-hydroxy-3-methoxybenzamide
PubChem CID115622767
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(3,3-dimethylbutan-2-yl)-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(C)C(C)(C)C)c1O
InChIInChI=1S/C14H21NO3/c1-9(14(2,3)4)15-13(17)10-7-6-8-11(18-5)12(10)16/h6-9,16H,1-5H3,(H,15,17)
InChIKeyUDHKERYBKKJVIX-UHFFFAOYSA-N
XLogP2.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-hydroxy-3-methoxybenzoyl)amino]-3-methylbutanoate
CID 43386285
2-hydroxy-3-methoxy-N-(5-methylhexan-2-yl)benzamide
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2-hydroxy-3-methoxy-N-(1-phenylethyl)benzamide
CID 43176488
3-hydroxy-2-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid
CID 24697724
N-heptan-2-yl-2-hydroxy-3-methoxybenzamide
CID 60653869
N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide
CID 61166501
N-(1-amino-4-methylpentan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 63755983
2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
CID 65109444
2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 60724227
2,3-dihydroxy-N'-(2-hydroxy-3-methoxybenzoyl)benzohydrazide
CID 24773714
N-(1-bromo-3-methoxypropan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 106184198
2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
CID 103945214

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-hydroxy-3-methoxybenzamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-hydroxy-3-methoxybenzamide (CID 115622767) is N-(3,3-dimethylbutan-2-yl)-2-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-2-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-2-hydroxy-3-methoxybenzamide is COc1cccc(C(=O)NC(C)C(C)(C)C)c1O.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-2-hydroxy-3-methoxybenzamide?
The InChIKey is UDHKERYBKKJVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9(14(2,3)4)15-13(17)10-7-6-8-11(18-5)12(10)16/h6-9,16H,1-5H3,(H,15,17).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-2-hydroxy-3-methoxybenzamide?
N-(3,3-dimethylbutan-2-yl)-2-hydroxy-3-methoxybenzamide has a molecular weight of 251.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-2-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 115622767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).