N-(2-cyanoethyl)-2-hydroxy-5-methoxy-N-(2-methylpropyl)benzamide

C15H20N2O3 — CID 60715659

IUPACN-(2-cyanoethyl)-2-hydroxy-5-methoxy-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(O)c(C(=O)N(CCC#N)CC(C)C)c1
InChIInChI=1S/C15H20N2O3/c1-11(2)10-17(8-4-7-16)15(19)13-9-12(20-3)5-6-14(13)18/h5-6,9,11,18H,4,8,10H2,1-3H3
InChIKeyPHUHGMYLHMZPPR-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.41
Rot. Bonds6

About N-(2-cyanoethyl)-2-hydroxy-5-methoxy-N-(2-methylpropyl)benzamide

N-(2-cyanoethyl)-2-hydroxy-5-methoxy-N-(2-methylpropyl)benzamide (PubChem CID 60715659) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-hydroxy-5-methoxy-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-hydroxy-5-methoxy-N-(2-methylpropyl)benzamide
PubChem CID60715659
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(2-cyanoethyl)-2-hydroxy-5-methoxy-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(O)c(C(=O)N(CCC#N)CC(C)C)c1
InChIInChI=1S/C15H20N2O3/c1-11(2)10-17(8-4-7-16)15(19)13-9-12(20-3)5-6-14(13)18/h5-6,9,11,18H,4,8,10H2,1-3H3
InChIKeyPHUHGMYLHMZPPR-UHFFFAOYSA-N
XLogP2.41
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-cyanoethyl)-2-hydroxy-N-(2-methylpropyl)benzamide
CID 60654559
N-ethyl-2-hydroxy-5-methoxy-N-(2-methylbutyl)benzamide
CID 79470067
N-(3-cyanopropyl)-2-hydroxy-5-methoxybenzamide
CID 62668483
N-ethyl-2-hydroxy-5-methoxy-N-prop-2-ynylbenzamide
CID 78971160
2-bromo-N-(2-cyanoethyl)-N-(2-methylpropyl)benzamide
CID 60654639
2-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)-5-sulfanylbenzamide
CID 107026865
4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide
CID 107074624
N-cyclopropyl-2-hydroxy-5-methoxy-N-(3-methylbutyl)benzamide
CID 115281180
2-amino-N-(2-cyanoethyl)-N-ethyl-4-methoxybenzamide
CID 113305145
3-amino-N-(2-cyanoethyl)-4-methoxy-N-(2-methylpropyl)benzamide
CID 61116424
4-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methylpropyl)benzamide
CID 60699445
N-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 63753944

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-hydroxy-5-methoxy-N-(2-methylpropyl)benzamide?
The IUPAC name of N-(2-cyanoethyl)-2-hydroxy-5-methoxy-N-(2-methylpropyl)benzamide (CID 60715659) is N-(2-cyanoethyl)-2-hydroxy-5-methoxy-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-hydroxy-5-methoxy-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-(2-cyanoethyl)-2-hydroxy-5-methoxy-N-(2-methylpropyl)benzamide is COc1ccc(O)c(C(=O)N(CCC#N)CC(C)C)c1.
What is the InChIKey of N-(2-cyanoethyl)-2-hydroxy-5-methoxy-N-(2-methylpropyl)benzamide?
The InChIKey is PHUHGMYLHMZPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(2)10-17(8-4-7-16)15(19)13-9-12(20-3)5-6-14(13)18/h5-6,9,11,18H,4,8,10H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-2-hydroxy-5-methoxy-N-(2-methylpropyl)benzamide?
N-(2-cyanoethyl)-2-hydroxy-5-methoxy-N-(2-methylpropyl)benzamide has a molecular weight of 276.34 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-hydroxy-5-methoxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 60715659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).