N-(2-cyanopropyl)-2-hydroxy-4-methoxy-N-methylbenzamide

C13H16N2O3 — CID 47402310

IUPACN-(2-cyanopropyl)-2-hydroxy-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CC(C)C#N)c(O)c1
InChIInChI=1S/C13H16N2O3/c1-9(7-14)8-15(2)13(17)11-5-4-10(18-3)6-12(11)16/h4-6,9,16H,8H2,1-3H3
InChIKeyCHIDTURQHQQHAO-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.63
Rot. Bonds4

About N-(2-cyanopropyl)-2-hydroxy-4-methoxy-N-methylbenzamide

N-(2-cyanopropyl)-2-hydroxy-4-methoxy-N-methylbenzamide (PubChem CID 47402310) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(2-cyanopropyl)-2-hydroxy-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-2-hydroxy-4-methoxy-N-methylbenzamide
PubChem CID47402310
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(2-cyanopropyl)-2-hydroxy-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CC(C)C#N)c(O)c1
InChIInChI=1S/C13H16N2O3/c1-9(7-14)8-15(2)13(17)11-5-4-10(18-3)6-12(11)16/h4-6,9,16H,8H2,1-3H3
InChIKeyCHIDTURQHQQHAO-UHFFFAOYSA-N
XLogP1.63
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-cyanopropyl)-2-hydroxy-4-methoxy-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanopropyl)-2,4,5-trimethoxy-N-methylbenzamide
CID 47861546
2-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid
CID 24711323
N-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 63753944
N-(2-cyanopropyl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 79467466
5-chloro-N-(2-cyanopropyl)-2-methoxy-N-methylbenzamide
CID 47402460
N-(2-cyanopropyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829304
2-hydroxy-4-methoxy-N-methyl-N-pentan-2-ylbenzamide
CID 43430281
ethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide
CID 144990982
2-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 30604031
N-(2-cyanopropyl)-2,6-dimethoxy-N-methylbenzamide
CID 54990731
N-(2-cyanopropyl)-2-hydroxy-5-methoxybenzamide
CID 55102191
1-[(2R)-2-cyanopropyl]-3-(4-methoxyphenyl)-1-methylurea
CID 51957413

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-2-hydroxy-4-methoxy-N-methylbenzamide?
The IUPAC name of N-(2-cyanopropyl)-2-hydroxy-4-methoxy-N-methylbenzamide (CID 47402310) is N-(2-cyanopropyl)-2-hydroxy-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(2-cyanopropyl)-2-hydroxy-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-(2-cyanopropyl)-2-hydroxy-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)CC(C)C#N)c(O)c1.
What is the InChIKey of N-(2-cyanopropyl)-2-hydroxy-4-methoxy-N-methylbenzamide?
The InChIKey is CHIDTURQHQQHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9(7-14)8-15(2)13(17)11-5-4-10(18-3)6-12(11)16/h4-6,9,16H,8H2,1-3H3.
What are the key properties of N-(2-cyanopropyl)-2-hydroxy-4-methoxy-N-methylbenzamide?
N-(2-cyanopropyl)-2-hydroxy-4-methoxy-N-methylbenzamide has a molecular weight of 248.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-2-hydroxy-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 47402310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).