N-(2-cyanopropyl)-3,4-diethoxybenzamide

C15H20N2O3 — CID 62653111

IUPACN-(2-cyanopropyl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(C)C#N)cc1OCC
InChIInChI=1S/C15H20N2O3/c1-4-19-13-7-6-12(8-14(13)20-5-2)15(18)17-10-11(3)9-16/h6-8,11H,4-5,10H2,1-3H3,(H,17,18)
InChIKeyQKUUHWLCNAUZEX-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.37
Rot. Bonds7

About N-(2-cyanopropyl)-3,4-diethoxybenzamide

N-(2-cyanopropyl)-3,4-diethoxybenzamide (PubChem CID 62653111) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2-cyanopropyl)-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-3,4-diethoxybenzamide
PubChem CID62653111
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(2-cyanopropyl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(C)C#N)cc1OCC
InChIInChI=1S/C15H20N2O3/c1-4-19-13-7-6-12(8-14(13)20-5-2)15(18)17-10-11(3)9-16/h6-8,11H,4-5,10H2,1-3H3,(H,17,18)
InChIKeyQKUUHWLCNAUZEX-UHFFFAOYSA-N
XLogP2.37
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
3-bromo-N-(2-cyanopropyl)-4-methoxybenzamide
CID 55209192
N-(2-amino-3-hydroxybutyl)-3,4-diethoxybenzamide
CID 64541242
2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
CID 119179235
4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 43391198
N-(1-cyanopropan-2-yl)-3,4-diethoxybenzamide
CID 47087147
N-(2-cyanopropyl)-3-methoxy-4-nitrobenzamide
CID 115621263
3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 62675508
N-(2-cyanopropyl)-3-hydroxy-4-iodobenzamide
CID 104628357
3-chloro-4-ethoxy-N-(2-methylpropyl)benzamide
CID 1250371
4-chloro-N-(2-cyanopropyl)-3-fluorobenzamide
CID 103876454
3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66166244

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-3,4-diethoxybenzamide?
The IUPAC name of N-(2-cyanopropyl)-3,4-diethoxybenzamide (CID 62653111) is N-(2-cyanopropyl)-3,4-diethoxybenzamide.
What is the SMILES notation for N-(2-cyanopropyl)-3,4-diethoxybenzamide?
The canonical SMILES for N-(2-cyanopropyl)-3,4-diethoxybenzamide is CCOc1ccc(C(=O)NCC(C)C#N)cc1OCC.
What is the InChIKey of N-(2-cyanopropyl)-3,4-diethoxybenzamide?
The InChIKey is QKUUHWLCNAUZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-19-13-7-6-12(8-14(13)20-5-2)15(18)17-10-11(3)9-16/h6-8,11H,4-5,10H2,1-3H3,(H,17,18).
What are the key properties of N-(2-cyanopropyl)-3,4-diethoxybenzamide?
N-(2-cyanopropyl)-3,4-diethoxybenzamide has a molecular weight of 276.34 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-3,4-diethoxybenzamide is sourced from PubChem (CID 62653111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).