2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide

C16H25NO3 — CID 60724227

IUPAC2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCOc1cccc(C(=O)NC(C)(C)CC(C)(C)C)c1O
InChIInChI=1S/C16H25NO3/c1-15(2,3)10-16(4,5)17-14(19)11-8-7-9-12(20-6)13(11)18/h7-9,18H,10H2,1-6H3,(H,17,19)
InChIKeyQVSMIZDCUGRNDZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.35
Rot. Bonds4

About 2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide

2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide (PubChem CID 60724227) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
PubChem CID60724227
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCOc1cccc(C(=O)NC(C)(C)CC(C)(C)C)c1O
InChIInChI=1S/C16H25NO3/c1-15(2,3)10-16(4,5)17-14(19)11-8-7-9-12(20-6)13(11)18/h7-9,18H,10H2,1-6H3,(H,17,19)
InChIKeyQVSMIZDCUGRNDZ-UHFFFAOYSA-N
XLogP3.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide
CID 61166501
2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 54943331
2-hydroxy-3-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 20715419
N-(2-cyanobutan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 61119582
2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
CID 65109444
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-hydroxy-3-methoxybenzamide
CID 114010988
N-(1-bromo-3-methylpentan-3-yl)-2-hydroxy-3-methoxybenzamide
CID 114153212
N-(3,3-dimethylbutan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 115622767
2,3-dihydroxy-N'-(2-hydroxy-3-methoxybenzoyl)benzohydrazide
CID 24773714
N-(1-bromo-2-methylpropan-2-yl)-2-methoxybenzamide
CID 114308173
4-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 115369210
2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 1241760

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The IUPAC name of 2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide (CID 60724227) is 2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide is COc1cccc(C(=O)NC(C)(C)CC(C)(C)C)c1O.
What is the InChIKey of 2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The InChIKey is QVSMIZDCUGRNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-15(2,3)10-16(4,5)17-14(19)11-8-7-9-12(20-6)13(11)18/h7-9,18H,10H2,1-6H3,(H,17,19).
What are the key properties of 2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide?
2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide has a molecular weight of 279.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide is sourced from PubChem (CID 60724227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).