4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanenitrile

C14H20N2O3 — CID 66179632

IUPAC4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanenitrile
SMILESCOc1ccccc1NC(C)(C#N)CC(OC)OC
InChIInChI=1S/C14H20N2O3/c1-14(10-15,9-13(18-3)19-4)16-11-7-5-6-8-12(11)17-2/h5-8,13,16H,9H2,1-4H3
InChIKeyGFAWYXIICDSVAD-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.40
Rot. Bonds7

About 4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanenitrile

4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanenitrile (PubChem CID 66179632) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanenitrile.

Molecular Properties

Compound Name4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanenitrile
PubChem CID66179632
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanenitrile
SMILESCOc1ccccc1NC(C)(C#N)CC(OC)OC
InChIInChI=1S/C14H20N2O3/c1-14(10-15,9-13(18-3)19-4)16-11-7-5-6-8-12(11)17-2/h5-8,13,16H,9H2,1-4H3
InChIKeyGFAWYXIICDSVAD-UHFFFAOYSA-N
XLogP2.40
TPSA63.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-2-(2-methoxyanilino)-2-methylpropanenitrile
CID 114831840
4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanamide
CID 66181212
2-(2-methoxyanilino)-2,3-dimethylpentanenitrile
CID 54887592
2-(2-methoxyanilino)-2,3-dimethylbutan-1-ol
CID 62488457
2-cyano-N-(2-methoxyphenyl)-2-methylpropanamide
CID 60778681
N-(2,2-dimethylpropyl)-2-methoxyaniline
CID 20785776
2-(2-methoxyanilino)-2,4-dimethylpentanamide
CID 54892038
2-(2-methoxyanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid
CID 114868127
2-(5-fluoro-2-methoxyanilino)-2-methylpropanenitrile
CID 115128962
4-methoxy-2-(2-methoxyanilino)-2,4-dimethylpentan-1-ol
CID 61050474
2-ethyl-2-(2-methoxyanilino)butan-1-ol
CID 61049290
3-(2-methoxyanilino)-3-phenylpropanenitrile
CID 62778351

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanenitrile?
The IUPAC name of 4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanenitrile (CID 66179632) is 4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanenitrile.
What is the SMILES notation for 4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanenitrile?
The canonical SMILES for 4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanenitrile is COc1ccccc1NC(C)(C#N)CC(OC)OC.
What is the InChIKey of 4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanenitrile?
The InChIKey is GFAWYXIICDSVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(10-15,9-13(18-3)19-4)16-11-7-5-6-8-12(11)17-2/h5-8,13,16H,9H2,1-4H3.
What are the key properties of 4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanenitrile?
4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanenitrile has a molecular weight of 264.32 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanenitrile is sourced from PubChem (CID 66179632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).