N-(1-cyano-3-methylbutyl)-2-(4-methoxyphenyl)acetamide

C15H20N2O2 — CID 112511596

IUPACN-(1-cyano-3-methylbutyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(C#N)CC(C)C)cc1
InChIInChI=1S/C15H20N2O2/c1-11(2)8-13(10-16)17-15(18)9-12-4-6-14(19-3)7-5-12/h4-7,11,13H,8-9H2,1-3H3,(H,17,18)
InChIKeyGZNOEKUGPSYEPJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.29
Rot. Bonds6

About N-(1-cyano-3-methylbutyl)-2-(4-methoxyphenyl)acetamide

N-(1-cyano-3-methylbutyl)-2-(4-methoxyphenyl)acetamide (PubChem CID 112511596) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(1-cyano-3-methylbutyl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-cyano-3-methylbutyl)-2-(4-methoxyphenyl)acetamide
PubChem CID112511596
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(1-cyano-3-methylbutyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(C#N)CC(C)C)cc1
InChIInChI=1S/C15H20N2O2/c1-11(2)8-13(10-16)17-15(18)9-12-4-6-14(19-3)7-5-12/h4-7,11,13H,8-9H2,1-3H3,(H,17,18)
InChIKeyGZNOEKUGPSYEPJ-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[(1S)-1-cyano-3-methylbutyl]acetamide
CID 94694538
N-[(1R)-1-cyano-3-methylbutyl]-2-(4-fluorophenyl)acetamide
CID 94689384
N-(1-bromo-4-methylpentan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 114311652
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
(3R)-N-[(1R)-1-cyano-3-methylbutyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95301966
(2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid
CID 42254545
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
N-(2-amino-4-methylpentyl)-2-(4-methoxyphenyl)acetamide
CID 107158847
N-[(2R)-1-aminopropan-2-yl]-2-(4-methoxyphenyl)acetamide
CID 104872813
N-(1-bromopropan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 114310520
N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 65315308
N-[(1R)-1-cyano-3-methylbutyl]-4-methylpentanamide
CID 95302946

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-3-methylbutyl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(1-cyano-3-methylbutyl)-2-(4-methoxyphenyl)acetamide (CID 112511596) is N-(1-cyano-3-methylbutyl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(1-cyano-3-methylbutyl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(1-cyano-3-methylbutyl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC(C#N)CC(C)C)cc1.
What is the InChIKey of N-(1-cyano-3-methylbutyl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is GZNOEKUGPSYEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(2)8-13(10-16)17-15(18)9-12-4-6-14(19-3)7-5-12/h4-7,11,13H,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-(1-cyano-3-methylbutyl)-2-(4-methoxyphenyl)acetamide?
N-(1-cyano-3-methylbutyl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 260.34 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-3-methylbutyl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 112511596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).