3-(1-cyanocyclobutyl)-4-methoxybenzamide

C13H14N2O2 — CID 142796154

IUPAC3-(1-cyanocyclobutyl)-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1C1(C#N)CCC1
InChIInChI=1S/C13H14N2O2/c1-17-11-4-3-9(12(15)16)7-10(11)13(8-14)5-2-6-13/h3-4,7H,2,5-6H2,1H3,(H2,15,16)
InChIKeyICRMRTLPDZDXQF-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.74
Rot. Bonds3

About 3-(1-cyanocyclobutyl)-4-methoxybenzamide

3-(1-cyanocyclobutyl)-4-methoxybenzamide (PubChem CID 142796154) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(1-cyanocyclobutyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-(1-cyanocyclobutyl)-4-methoxybenzamide
PubChem CID142796154
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-(1-cyanocyclobutyl)-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1C1(C#N)CCC1
InChIInChI=1S/C13H14N2O2/c1-17-11-4-3-9(12(15)16)7-10(11)13(8-14)5-2-6-13/h3-4,7H,2,5-6H2,1H3,(H2,15,16)
InChIKeyICRMRTLPDZDXQF-UHFFFAOYSA-N
XLogP1.74
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)cyclohexane-1-carbonitrile
CID 28937677
1-(2-methoxy-5-methylphenyl)cyclopropane-1-carbonitrile
CID 43119027
1-(3-bromo-4-methoxy-2-methylphenyl)cyclobutane-1-carbonitrile
CID 84811736
2-(5-chloro-2-methoxyphenyl)spiro[3.3]heptane-2-carbonitrile
CID 65009591
3-formyl-4-methoxybenzamide
CID 23141386
1-(3-formyl-4-methoxyphenyl)cyclobutane-1-carbonitrile
CID 140857950
3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide
CID 115434921
1-(3-chloro-4-methoxyphenyl)cyclobutane-1-carbonitrile
CID 83707869
methyl 4-cyano-4-(3,4-dimethoxyphenyl)cyclohexane-1-carboxylate
CID 909010
1-(2-chloro-6-methoxy-3-methylphenyl)cyclobutane-1-carbonitrile
CID 84797824
(5-carbamoyl-2-methoxyphenyl) methyl carbonate
CID 122661696
3-[2-(dicyanomethylidene)hydrazinyl]-4-methoxybenzamide
CID 169341777

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyanocyclobutyl)-4-methoxybenzamide?
The IUPAC name of 3-(1-cyanocyclobutyl)-4-methoxybenzamide (CID 142796154) is 3-(1-cyanocyclobutyl)-4-methoxybenzamide.
What is the SMILES notation for 3-(1-cyanocyclobutyl)-4-methoxybenzamide?
The canonical SMILES for 3-(1-cyanocyclobutyl)-4-methoxybenzamide is COc1ccc(C(N)=O)cc1C1(C#N)CCC1.
What is the InChIKey of 3-(1-cyanocyclobutyl)-4-methoxybenzamide?
The InChIKey is ICRMRTLPDZDXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-17-11-4-3-9(12(15)16)7-10(11)13(8-14)5-2-6-13/h3-4,7H,2,5-6H2,1H3,(H2,15,16).
What are the key properties of 3-(1-cyanocyclobutyl)-4-methoxybenzamide?
3-(1-cyanocyclobutyl)-4-methoxybenzamide has a molecular weight of 230.27 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyanocyclobutyl)-4-methoxybenzamide is sourced from PubChem (CID 142796154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).