N-(3-cyanophenyl)-4-methoxy-3-(3-methoxypropoxy)-N-methylbenzamide

C20H22N2O4 — CID 70325221

IUPACN-(3-cyanophenyl)-4-methoxy-3-(3-methoxypropoxy)-N-methylbenzamide
SMILESCOCCCOc1cc(C(=O)N(C)c2cccc(C#N)c2)ccc1OC
InChIInChI=1S/C20H22N2O4/c1-22(17-7-4-6-15(12-17)14-21)20(23)16-8-9-18(25-3)19(13-16)26-11-5-10-24-2/h4,6-9,12-13H,5,10-11H2,1-3H3
InChIKeyUIHZKINNMWUTGK-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.26
Rot. Bonds8

About N-(3-cyanophenyl)-4-methoxy-3-(3-methoxypropoxy)-N-methylbenzamide

N-(3-cyanophenyl)-4-methoxy-3-(3-methoxypropoxy)-N-methylbenzamide (PubChem CID 70325221) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-methoxy-3-(3-methoxypropoxy)-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-methoxy-3-(3-methoxypropoxy)-N-methylbenzamide
PubChem CID70325221
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-(3-cyanophenyl)-4-methoxy-3-(3-methoxypropoxy)-N-methylbenzamide
SMILESCOCCCOc1cc(C(=O)N(C)c2cccc(C#N)c2)ccc1OC
InChIInChI=1S/C20H22N2O4/c1-22(17-7-4-6-15(12-17)14-21)20(23)16-8-9-18(25-3)19(13-16)26-11-5-10-24-2/h4,6-9,12-13H,5,10-11H2,1-3H3
InChIKeyUIHZKINNMWUTGK-UHFFFAOYSA-N
XLogP3.26
TPSA71.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-cyano-N-[3-(3,4-dimethoxyphenyl)propyl]-N-methylbenzamide
CID 38713614
4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide
CID 59224071
4-[butyl(methyl)amino]-N-(3-cyanophenyl)-N-methylbenzamide
CID 52822955
3-cyano-N-(3,5-dimethoxyphenyl)-N-methylbenzamide
CID 99829830
3-[(3-cyanophenyl)-methylcarbamoyl]benzoic acid
CID 62981166
N-(3-cyanophenyl)-3-hydroxy-N,4-dimethylbenzamide
CID 62983094
3-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 47407969
3-bromo-N-(3-cyanophenyl)-N,4-dimethylbenzamide
CID 79467111
N-(3-cyanophenyl)-N,2-dimethylpyridine-4-carboxamide
CID 106752946
3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide
CID 62983145
N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-N-(4-cyanophenyl)-4-methoxy-3-(3-methoxypropoxy)benzamide
CID 11720448
4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide
CID 9440115

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-methoxy-3-(3-methoxypropoxy)-N-methylbenzamide?
The IUPAC name of N-(3-cyanophenyl)-4-methoxy-3-(3-methoxypropoxy)-N-methylbenzamide (CID 70325221) is N-(3-cyanophenyl)-4-methoxy-3-(3-methoxypropoxy)-N-methylbenzamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-methoxy-3-(3-methoxypropoxy)-N-methylbenzamide?
The canonical SMILES for N-(3-cyanophenyl)-4-methoxy-3-(3-methoxypropoxy)-N-methylbenzamide is COCCCOc1cc(C(=O)N(C)c2cccc(C#N)c2)ccc1OC.
What is the InChIKey of N-(3-cyanophenyl)-4-methoxy-3-(3-methoxypropoxy)-N-methylbenzamide?
The InChIKey is UIHZKINNMWUTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-22(17-7-4-6-15(12-17)14-21)20(23)16-8-9-18(25-3)19(13-16)26-11-5-10-24-2/h4,6-9,12-13H,5,10-11H2,1-3H3.
What are the key properties of N-(3-cyanophenyl)-4-methoxy-3-(3-methoxypropoxy)-N-methylbenzamide?
N-(3-cyanophenyl)-4-methoxy-3-(3-methoxypropoxy)-N-methylbenzamide has a molecular weight of 354.41 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-methoxy-3-(3-methoxypropoxy)-N-methylbenzamide is sourced from PubChem (CID 70325221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).