N-(2-cyanobutan-2-yl)-3-(4-methoxyphenyl)propanamide

C15H20N2O2 — CID 61119783

IUPACN-(2-cyanobutan-2-yl)-3-(4-methoxyphenyl)propanamide
SMILESCCC(C)(C#N)NC(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C15H20N2O2/c1-4-15(2,11-16)17-14(18)10-7-12-5-8-13(19-3)9-6-12/h5-6,8-9H,4,7,10H2,1-3H3,(H,17,18)
InChIKeyYMOBLSWOILRLNN-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.44
Rot. Bonds6

About N-(2-cyanobutan-2-yl)-3-(4-methoxyphenyl)propanamide

N-(2-cyanobutan-2-yl)-3-(4-methoxyphenyl)propanamide (PubChem CID 61119783) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(2-cyanobutan-2-yl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-cyanobutan-2-yl)-3-(4-methoxyphenyl)propanamide
PubChem CID61119783
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(2-cyanobutan-2-yl)-3-(4-methoxyphenyl)propanamide
SMILESCCC(C)(C#N)NC(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C15H20N2O2/c1-4-15(2,11-16)17-14(18)10-7-12-5-8-13(19-3)9-6-12/h5-6,8-9H,4,7,10H2,1-3H3,(H,17,18)
InChIKeyYMOBLSWOILRLNN-UHFFFAOYSA-N
XLogP2.44
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 43390565
N-(2-ethyl-2-hydroxybutyl)-3-(4-methoxyphenyl)propanamide
CID 65112662
1-(4-methoxyphenyl)-4,4-dimethylhexan-3-one
CID 114974365
N-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide
CID 30873501
N-(3-cyanopentan-3-yl)-3-(4-methylphenyl)propanamide
CID 62503279
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-tert-butyl-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025890
methyl N-[3-(4-methoxyphenyl)propanoylamino]carbamate
CID 14922045
N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975
N-(2-cyanopropan-2-yl)-3-phenylpropanamide
CID 55029032
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 114299962

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanobutan-2-yl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(2-cyanobutan-2-yl)-3-(4-methoxyphenyl)propanamide (CID 61119783) is N-(2-cyanobutan-2-yl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(2-cyanobutan-2-yl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(2-cyanobutan-2-yl)-3-(4-methoxyphenyl)propanamide is CCC(C)(C#N)NC(=O)CCc1ccc(OC)cc1.
What is the InChIKey of N-(2-cyanobutan-2-yl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is YMOBLSWOILRLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-15(2,11-16)17-14(18)10-7-12-5-8-13(19-3)9-6-12/h5-6,8-9H,4,7,10H2,1-3H3,(H,17,18).
What are the key properties of N-(2-cyanobutan-2-yl)-3-(4-methoxyphenyl)propanamide?
N-(2-cyanobutan-2-yl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 260.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanobutan-2-yl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 61119783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).