N-(1-cyanobutan-2-yl)-2-methoxy-5-methylbenzamide

C14H18N2O2 — CID 62647253

IUPACN-(1-cyanobutan-2-yl)-2-methoxy-5-methylbenzamide
SMILESCCC(CC#N)NC(=O)c1cc(C)ccc1OC
InChIInChI=1S/C14H18N2O2/c1-4-11(7-8-15)16-14(17)12-9-10(2)5-6-13(12)18-3/h5-6,9,11H,4,7H2,1-3H3,(H,16,17)
InChIKeyIKACPWPBZUJCDH-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.43
Rot. Bonds5

About N-(1-cyanobutan-2-yl)-2-methoxy-5-methylbenzamide

N-(1-cyanobutan-2-yl)-2-methoxy-5-methylbenzamide (PubChem CID 62647253) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(1-cyanobutan-2-yl)-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(1-cyanobutan-2-yl)-2-methoxy-5-methylbenzamide
PubChem CID62647253
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(1-cyanobutan-2-yl)-2-methoxy-5-methylbenzamide
SMILESCCC(CC#N)NC(=O)c1cc(C)ccc1OC
InChIInChI=1S/C14H18N2O2/c1-4-11(7-8-15)16-14(17)12-9-10(2)5-6-13(12)18-3/h5-6,9,11H,4,7H2,1-3H3,(H,16,17)
InChIKeyIKACPWPBZUJCDH-UHFFFAOYSA-N
XLogP2.43
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanobutan-2-yl)-2,4-dimethylbenzamide
CID 62646698
N-(1-hydroxypentan-3-yl)-2-methoxy-5-methylbenzamide
CID 115767323
N-(1-cyanobutan-2-yl)-4-hydroxy-2-methylbenzamide
CID 75507222
2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide
CID 79796029
N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxy-5-methylbenzamide
CID 61245771
5-bromo-N-(1-cyanobutan-2-yl)-2-methylbenzamide
CID 65308104
2-(2-methoxy-5-methylbenzoyl)butanenitrile
CID 62503537
N-[(2R)-1-cyanobutan-2-yl]-2,3-dihydroxybenzamide
CID 124571494
5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide
CID 43390352
5-amino-N-hexan-3-yl-2-methoxybenzamide
CID 62094748
5-chloro-N-(1-cyanobutan-2-yl)-2-hydroxybenzamide
CID 62647939
(2R)-2-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 79010669

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutan-2-yl)-2-methoxy-5-methylbenzamide?
The IUPAC name of N-(1-cyanobutan-2-yl)-2-methoxy-5-methylbenzamide (CID 62647253) is N-(1-cyanobutan-2-yl)-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-(1-cyanobutan-2-yl)-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-(1-cyanobutan-2-yl)-2-methoxy-5-methylbenzamide is CCC(CC#N)NC(=O)c1cc(C)ccc1OC.
What is the InChIKey of N-(1-cyanobutan-2-yl)-2-methoxy-5-methylbenzamide?
The InChIKey is IKACPWPBZUJCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-11(7-8-15)16-14(17)12-9-10(2)5-6-13(12)18-3/h5-6,9,11H,4,7H2,1-3H3,(H,16,17).
What are the key properties of N-(1-cyanobutan-2-yl)-2-methoxy-5-methylbenzamide?
N-(1-cyanobutan-2-yl)-2-methoxy-5-methylbenzamide has a molecular weight of 246.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutan-2-yl)-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 62647253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).