N-(2-cyanopropyl)-2-hydroxy-5-methoxybenzamide

C12H14N2O3 — CID 55102191

IUPACN-(2-cyanopropyl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NCC(C)C#N)c1
InChIInChI=1S/C12H14N2O3/c1-8(6-13)7-14-12(16)10-5-9(17-2)3-4-11(10)15/h3-5,8,15H,7H2,1-2H3,(H,14,16)
InChIKeyLLCICUDVJYCOEJ-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.29
Rot. Bonds4

About N-(2-cyanopropyl)-2-hydroxy-5-methoxybenzamide

N-(2-cyanopropyl)-2-hydroxy-5-methoxybenzamide (PubChem CID 55102191) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-(2-cyanopropyl)-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-2-hydroxy-5-methoxybenzamide
PubChem CID55102191
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN-(2-cyanopropyl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NCC(C)C#N)c1
InChIInChI=1S/C12H14N2O3/c1-8(6-13)7-14-12(16)10-5-9(17-2)3-4-11(10)15/h3-5,8,15H,7H2,1-2H3,(H,14,16)
InChIKeyLLCICUDVJYCOEJ-UHFFFAOYSA-N
XLogP1.29
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanoethyl)-2-hydroxy-5-methoxybenzamide
CID 55207961
N-(3-cyanopropyl)-2-hydroxy-5-methoxybenzamide
CID 62668483
(2S)-2-hydroxy-3-[(2-hydroxy-5-methoxybenzoyl)amino]propanoic acid
CID 107833807
2-hydroxy-5-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641545
2,5-dihydroxy-N-(2-methoxypropyl)benzamide
CID 107723939
2-hydroxy-5-methoxy-N-(2-methylpropoxy)benzamide
CID 115410347
2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide
CID 114504277
N-(1-aminopropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 63733200
N-(2-cyanopropyl)-3-hydroxy-4-iodobenzamide
CID 104628357
2-hydroxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 11086863
N-(2-cyanopropyl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 47402310
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-5-methoxybenzamide
CID 65113519

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-(2-cyanopropyl)-2-hydroxy-5-methoxybenzamide (CID 55102191) is N-(2-cyanopropyl)-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-(2-cyanopropyl)-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-(2-cyanopropyl)-2-hydroxy-5-methoxybenzamide is COc1ccc(O)c(C(=O)NCC(C)C#N)c1.
What is the InChIKey of N-(2-cyanopropyl)-2-hydroxy-5-methoxybenzamide?
The InChIKey is LLCICUDVJYCOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8(6-13)7-14-12(16)10-5-9(17-2)3-4-11(10)15/h3-5,8,15H,7H2,1-2H3,(H,14,16).
What are the key properties of N-(2-cyanopropyl)-2-hydroxy-5-methoxybenzamide?
N-(2-cyanopropyl)-2-hydroxy-5-methoxybenzamide has a molecular weight of 234.25 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 55102191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).