N-(3-cyanopropyl)-2-hydroxy-5-methoxybenzamide

C12H14N2O3 — CID 62668483

IUPACN-(3-cyanopropyl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NCCCC#N)c1
InChIInChI=1S/C12H14N2O3/c1-17-9-4-5-11(15)10(8-9)12(16)14-7-3-2-6-13/h4-5,8,15H,2-3,7H2,1H3,(H,14,16)
InChIKeyINUPUQXKDBCEDU-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.43
Rot. Bonds5

About N-(3-cyanopropyl)-2-hydroxy-5-methoxybenzamide

N-(3-cyanopropyl)-2-hydroxy-5-methoxybenzamide (PubChem CID 62668483) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-(3-cyanopropyl)-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-(3-cyanopropyl)-2-hydroxy-5-methoxybenzamide
PubChem CID62668483
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN-(3-cyanopropyl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NCCCC#N)c1
InChIInChI=1S/C12H14N2O3/c1-17-9-4-5-11(15)10(8-9)12(16)14-7-3-2-6-13/h4-5,8,15H,2-3,7H2,1H3,(H,14,16)
InChIKeyINUPUQXKDBCEDU-UHFFFAOYSA-N
XLogP1.43
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide
CID 114504277
2-amino-N-(2-cyanoethyl)-5-methoxybenzamide
CID 115412506
N-(2-cyanopropyl)-2-hydroxy-5-methoxybenzamide
CID 55102191
N-(3-cyanopropyl)-3,5-dimethoxybenzamide
CID 62668308
2-hydroxy-5-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641545
N-(1-cyanoethyl)-2-hydroxy-5-methoxybenzamide
CID 55207961
2-hydroxy-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 115579282
(2S)-2-hydroxy-3-[(2-hydroxy-5-methoxybenzoyl)amino]propanoic acid
CID 107833807
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-5-methoxybenzamide
CID 65113519
N-(2-cyanoethyl)-2-hydroxy-5-methoxy-N-(2-methylpropyl)benzamide
CID 60715659
N-(cyanomethyl)-2,5-dihydroxybenzamide
CID 103892329
2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
CID 43090058

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopropyl)-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-(3-cyanopropyl)-2-hydroxy-5-methoxybenzamide (CID 62668483) is N-(3-cyanopropyl)-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-(3-cyanopropyl)-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-(3-cyanopropyl)-2-hydroxy-5-methoxybenzamide is COc1ccc(O)c(C(=O)NCCCC#N)c1.
What is the InChIKey of N-(3-cyanopropyl)-2-hydroxy-5-methoxybenzamide?
The InChIKey is INUPUQXKDBCEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-17-9-4-5-11(15)10(8-9)12(16)14-7-3-2-6-13/h4-5,8,15H,2-3,7H2,1H3,(H,14,16).
What are the key properties of N-(3-cyanopropyl)-2-hydroxy-5-methoxybenzamide?
N-(3-cyanopropyl)-2-hydroxy-5-methoxybenzamide has a molecular weight of 234.25 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopropyl)-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 62668483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).