N-(3-cyanopentan-3-yl)-3,4-dimethoxybenzamide

C15H20N2O3 — CID 61119027

IUPACN-(3-cyanopentan-3-yl)-3,4-dimethoxybenzamide
SMILESCCC(C#N)(CC)NC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H20N2O3/c1-5-15(6-2,10-16)17-14(18)11-7-8-12(19-3)13(9-11)20-4/h7-9H,5-6H2,1-4H3,(H,17,18)
InChIKeyRLUPISCFQAVJKS-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.52
Rot. Bonds6

About N-(3-cyanopentan-3-yl)-3,4-dimethoxybenzamide

N-(3-cyanopentan-3-yl)-3,4-dimethoxybenzamide (PubChem CID 61119027) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(3-cyanopentan-3-yl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-cyanopentan-3-yl)-3,4-dimethoxybenzamide
PubChem CID61119027
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(3-cyanopentan-3-yl)-3,4-dimethoxybenzamide
SMILESCCC(C#N)(CC)NC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H20N2O3/c1-5-15(6-2,10-16)17-14(18)11-7-8-12(19-3)13(9-11)20-4/h7-9H,5-6H2,1-4H3,(H,17,18)
InChIKeyRLUPISCFQAVJKS-UHFFFAOYSA-N
XLogP2.52
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide
CID 3297993
N-[3-(chloromethyl)pentan-3-yl]-3,4-dimethoxybenzamide
CID 114304525
3-chloro-N-(3-cyanopentan-3-yl)-4-methylbenzamide
CID 55163737
N-(3-ethylpent-1-yn-3-yl)-3-fluoro-4-methoxybenzamide
CID 18165932
N-(3-cyanopentan-3-yl)-4-methylsulfanylbenzamide
CID 79215618
N-[3-(bromomethyl)pentan-3-yl]-3-methoxy-4-methylbenzamide
CID 113275847
N'-[1-(4-cyanophenyl)ethenyl]-3,4-dimethoxybenzohydrazide
CID 2453941
N-(2-cyanobutan-2-yl)-4-methoxy-3-nitrobenzamide
CID 61119589
N-[cyano(ethoxy)methyl]-3,4-dimethoxybenzamide
CID 131860566
N-[2-[(2-cyanoacetyl)amino]ethyl]-3,4-dimethoxybenzamide
CID 108537248
N-(2-cyanobutan-2-yl)-3,4,5-trimethoxybenzamide
CID 51089527
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopentan-3-yl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(3-cyanopentan-3-yl)-3,4-dimethoxybenzamide (CID 61119027) is N-(3-cyanopentan-3-yl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(3-cyanopentan-3-yl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(3-cyanopentan-3-yl)-3,4-dimethoxybenzamide is CCC(C#N)(CC)NC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-(3-cyanopentan-3-yl)-3,4-dimethoxybenzamide?
The InChIKey is RLUPISCFQAVJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-5-15(6-2,10-16)17-14(18)11-7-8-12(19-3)13(9-11)20-4/h7-9H,5-6H2,1-4H3,(H,17,18).
What are the key properties of N-(3-cyanopentan-3-yl)-3,4-dimethoxybenzamide?
N-(3-cyanopentan-3-yl)-3,4-dimethoxybenzamide has a molecular weight of 276.34 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopentan-3-yl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 61119027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).