N-(2-cyanobutan-2-yl)-2-hydroxy-3-methoxybenzamide

C13H16N2O3 — CID 61119582

IUPACN-(2-cyanobutan-2-yl)-2-hydroxy-3-methoxybenzamide
SMILESCCC(C)(C#N)NC(=O)c1cccc(OC)c1O
InChIInChI=1S/C13H16N2O3/c1-4-13(2,8-14)15-12(17)9-6-5-7-10(18-3)11(9)16/h5-7,16H,4H2,1-3H3,(H,15,17)
InChIKeyFNDPZDJGTXXJDL-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.82
Rot. Bonds4

About N-(2-cyanobutan-2-yl)-2-hydroxy-3-methoxybenzamide

N-(2-cyanobutan-2-yl)-2-hydroxy-3-methoxybenzamide (PubChem CID 61119582) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(2-cyanobutan-2-yl)-2-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-cyanobutan-2-yl)-2-hydroxy-3-methoxybenzamide
PubChem CID61119582
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(2-cyanobutan-2-yl)-2-hydroxy-3-methoxybenzamide
SMILESCCC(C)(C#N)NC(=O)c1cccc(OC)c1O
InChIInChI=1S/C13H16N2O3/c1-4-13(2,8-14)15-12(17)9-6-5-7-10(18-3)11(9)16/h5-7,16H,4H2,1-3H3,(H,15,17)
InChIKeyFNDPZDJGTXXJDL-UHFFFAOYSA-N
XLogP1.82
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanobutan-2-yl)-2-(difluoromethoxy)benzamide
CID 61119977
2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 60724227
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
3-chloro-N-(2-cyanobutan-2-yl)-2-fluorobenzamide
CID 80998996
N-(2-cyanobutan-2-yl)-3,4,5-trimethoxybenzamide
CID 51089527
N-(2-cyanobutan-2-yl)quinoline-8-carboxamide
CID 62849552
N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide
CID 61166501
N-(2-cyanobutan-2-yl)-2,5-dihydroxybenzamide
CID 107721985
2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
CID 65109444
N-(3,3-dimethylbutan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 115622767
2,3-dihydroxy-N'-(2-hydroxy-3-methoxybenzoyl)benzohydrazide
CID 24773714

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanobutan-2-yl)-2-hydroxy-3-methoxybenzamide?
The IUPAC name of N-(2-cyanobutan-2-yl)-2-hydroxy-3-methoxybenzamide (CID 61119582) is N-(2-cyanobutan-2-yl)-2-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-(2-cyanobutan-2-yl)-2-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-(2-cyanobutan-2-yl)-2-hydroxy-3-methoxybenzamide is CCC(C)(C#N)NC(=O)c1cccc(OC)c1O.
What is the InChIKey of N-(2-cyanobutan-2-yl)-2-hydroxy-3-methoxybenzamide?
The InChIKey is FNDPZDJGTXXJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-4-13(2,8-14)15-12(17)9-6-5-7-10(18-3)11(9)16/h5-7,16H,4H2,1-3H3,(H,15,17).
What are the key properties of N-(2-cyanobutan-2-yl)-2-hydroxy-3-methoxybenzamide?
N-(2-cyanobutan-2-yl)-2-hydroxy-3-methoxybenzamide has a molecular weight of 248.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanobutan-2-yl)-2-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 61119582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).