N-[3-(3-cyanopropoxy)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide

C21H25N3O3 — CID 55959465

IUPACN-[3-(3-cyanopropoxy)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide
SMILESCN(C)CCOc1ccccc1C(=O)Nc1cccc(OCCCC#N)c1
InChIInChI=1S/C21H25N3O3/c1-24(2)13-15-27-20-11-4-3-10-19(20)21(25)23-17-8-7-9-18(16-17)26-14-6-5-12-22/h3-4,7-11,16H,5-6,13-15H2,1-2H3,(H,23,25)
InChIKeyCQOLKCSCXIOFHM-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.56
Rot. Bonds10

About N-[3-(3-cyanopropoxy)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide

N-[3-(3-cyanopropoxy)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide (PubChem CID 55959465) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[3-(3-cyanopropoxy)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide.

Molecular Properties

Compound NameN-[3-(3-cyanopropoxy)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide
PubChem CID55959465
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[3-(3-cyanopropoxy)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide
SMILESCN(C)CCOc1ccccc1C(=O)Nc1cccc(OCCCC#N)c1
InChIInChI=1S/C21H25N3O3/c1-24(2)13-15-27-20-11-4-3-10-19(20)21(25)23-17-8-7-9-18(16-17)26-14-6-5-12-22/h3-4,7-11,16H,5-6,13-15H2,1-2H3,(H,23,25)
InChIKeyCQOLKCSCXIOFHM-UHFFFAOYSA-N
XLogP3.56
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide
CID 86991936
2,5-dichloro-N-[3-(3-cyanopropoxy)phenyl]thiophene-3-carboxamide
CID 87026605
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883
5-chloro-N-[3-(3-cyanopropoxy)phenyl]-4-iodo-2-methoxybenzamide
CID 55878842
5-bromo-N-[2-[[3-(3-cyanopropoxy)phenyl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 55993094
N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695
2-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 69175199
2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142269
N-(3-hexoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 17094817
N-[3-[2-(dimethylamino)ethoxy]phenyl]-1-benzothiophene-3-carboxamide
CID 167748258
N-[3-(3-cyanopropoxy)phenyl]-4-methylsulfanylbenzamide
CID 87026604
N-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]-N-methylbenzamide
CID 55879730

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyanopropoxy)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide?
The IUPAC name of N-[3-(3-cyanopropoxy)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide (CID 55959465) is N-[3-(3-cyanopropoxy)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide.
What is the SMILES notation for N-[3-(3-cyanopropoxy)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide?
The canonical SMILES for N-[3-(3-cyanopropoxy)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide is CN(C)CCOc1ccccc1C(=O)Nc1cccc(OCCCC#N)c1.
What is the InChIKey of N-[3-(3-cyanopropoxy)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide?
The InChIKey is CQOLKCSCXIOFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-24(2)13-15-27-20-11-4-3-10-19(20)21(25)23-17-8-7-9-18(16-17)26-14-6-5-12-22/h3-4,7-11,16H,5-6,13-15H2,1-2H3,(H,23,25).
What are the key properties of N-[3-(3-cyanopropoxy)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide?
N-[3-(3-cyanopropoxy)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide has a molecular weight of 367.45 g/mol, XLogP of 3.56, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyanopropoxy)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide is sourced from PubChem (CID 55959465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).