2-(3-methoxyanilino)-2,3-dimethylbutanamide

C13H20N2O2 — CID 54892227

IUPAC2-(3-methoxyanilino)-2,3-dimethylbutanamide
SMILESCOc1cccc(NC(C)(C(N)=O)C(C)C)c1
InChIInChI=1S/C13H20N2O2/c1-9(2)13(3,12(14)16)15-10-6-5-7-11(8-10)17-4/h5-9,15H,1-4H3,(H2,14,16)
InChIKeyLHWMTYQKZKGGCH-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.01
Rot. Bonds5

About 2-(3-methoxyanilino)-2,3-dimethylbutanamide

2-(3-methoxyanilino)-2,3-dimethylbutanamide (PubChem CID 54892227) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-2,3-dimethylbutanamide.

Molecular Properties

Compound Name2-(3-methoxyanilino)-2,3-dimethylbutanamide
PubChem CID54892227
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(3-methoxyanilino)-2,3-dimethylbutanamide
SMILESCOc1cccc(NC(C)(C(N)=O)C(C)C)c1
InChIInChI=1S/C13H20N2O2/c1-9(2)13(3,12(14)16)15-10-6-5-7-11(8-10)17-4/h5-9,15H,1-4H3,(H2,14,16)
InChIKeyLHWMTYQKZKGGCH-UHFFFAOYSA-N
XLogP2.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyanilino)-2-phenylpropanamide
CID 60990885
4,4-dimethoxy-2-(3-methoxyanilino)-2-methylbutanamide
CID 66181211
2-(3-methoxyanilino)-2,3-dimethylbutanenitrile
CID 60990481
2-(3-hydroxyphenyl)-2-(3-methoxyanilino)propanamide
CID 60991015
N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-4-(3-methoxybenzoyl)benzamide
CID 166198718
2-(3-methoxyanilino)-2-methyloctanamide
CID 61005310
2-(3-bromoanilino)-3,3-dimethoxy-2-methylpropanamide
CID 66165349
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
2-N-(3-methoxyphenyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867783
ethyl 2-(3-methoxyanilino)-2,5-dimethylhexanoate
CID 60992871
2-ethyl-2-(3-methoxyanilino)hexanamide
CID 63953655
3-(3-methoxyanilino)propanamide
CID 43131962

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-2,3-dimethylbutanamide?
The IUPAC name of 2-(3-methoxyanilino)-2,3-dimethylbutanamide (CID 54892227) is 2-(3-methoxyanilino)-2,3-dimethylbutanamide.
What is the SMILES notation for 2-(3-methoxyanilino)-2,3-dimethylbutanamide?
The canonical SMILES for 2-(3-methoxyanilino)-2,3-dimethylbutanamide is COc1cccc(NC(C)(C(N)=O)C(C)C)c1.
What is the InChIKey of 2-(3-methoxyanilino)-2,3-dimethylbutanamide?
The InChIKey is LHWMTYQKZKGGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)13(3,12(14)16)15-10-6-5-7-11(8-10)17-4/h5-9,15H,1-4H3,(H2,14,16).
What are the key properties of 2-(3-methoxyanilino)-2,3-dimethylbutanamide?
2-(3-methoxyanilino)-2,3-dimethylbutanamide has a molecular weight of 236.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-2,3-dimethylbutanamide is sourced from PubChem (CID 54892227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).