2-(4-methoxyanilino)-2-methylpentanamide

C13H20N2O2 — CID 54889125

IUPAC2-(4-methoxyanilino)-2-methylpentanamide
SMILESCCCC(C)(Nc1ccc(OC)cc1)C(N)=O
InChIInChI=1S/C13H20N2O2/c1-4-9-13(2,12(14)16)15-10-5-7-11(17-3)8-6-10/h5-8,15H,4,9H2,1-3H3,(H2,14,16)
InChIKeyUNQOGHCNNQCJPF-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.15
Rot. Bonds6

About 2-(4-methoxyanilino)-2-methylpentanamide

2-(4-methoxyanilino)-2-methylpentanamide (PubChem CID 54889125) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-2-methylpentanamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-2-methylpentanamide
PubChem CID54889125
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(4-methoxyanilino)-2-methylpentanamide
SMILESCCCC(C)(Nc1ccc(OC)cc1)C(N)=O
InChIInChI=1S/C13H20N2O2/c1-4-9-13(2,12(14)16)15-10-5-7-11(17-3)8-6-10/h5-8,15H,4,9H2,1-3H3,(H2,14,16)
InChIKeyUNQOGHCNNQCJPF-UHFFFAOYSA-N
XLogP2.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(4-methoxyanilino)-2-methylpentanoate
CID 54890065
ethyl 2-(4-methoxyanilino)-2-propylpentanoate
CID 60991340
2-(3-methoxyanilino)-2-methyloctanamide
CID 61005310
2-(4-methoxyanilino)-2,5-dimethylhexanoic acid
CID 60992410
ethyl 2-methyl-2-(4-methylanilino)pentanoate
CID 54889848
ethyl (2S)-2-(4-methoxyanilino)-2-methylpent-4-enoate
CID 24867811
2-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid
CID 43619594
2-(4-methoxyanilino)-2-methylpentanenitrile
CID 60988166
ethyl 2-(4-chloroanilino)-2-methylpentanoate
CID 54890839
2-anilino-2-methylpentanoic acid
CID 60992039
2-(4-bromophenyl)-2-(4-methoxyanilino)propanamide
CID 60996145
2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic acid
CID 43619666

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-2-methylpentanamide?
The IUPAC name of 2-(4-methoxyanilino)-2-methylpentanamide (CID 54889125) is 2-(4-methoxyanilino)-2-methylpentanamide.
What is the SMILES notation for 2-(4-methoxyanilino)-2-methylpentanamide?
The canonical SMILES for 2-(4-methoxyanilino)-2-methylpentanamide is CCCC(C)(Nc1ccc(OC)cc1)C(N)=O.
What is the InChIKey of 2-(4-methoxyanilino)-2-methylpentanamide?
The InChIKey is UNQOGHCNNQCJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-9-13(2,12(14)16)15-10-5-7-11(17-3)8-6-10/h5-8,15H,4,9H2,1-3H3,(H2,14,16).
What are the key properties of 2-(4-methoxyanilino)-2-methylpentanamide?
2-(4-methoxyanilino)-2-methylpentanamide has a molecular weight of 236.31 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-2-methylpentanamide is sourced from PubChem (CID 54889125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).