2-(3-methoxyanilino)-2-methyloctanamide

C16H26N2O2 — CID 61005310

IUPAC2-(3-methoxyanilino)-2-methyloctanamide
SMILESCCCCCCC(C)(Nc1cccc(OC)c1)C(N)=O
InChIInChI=1S/C16H26N2O2/c1-4-5-6-7-11-16(2,15(17)19)18-13-9-8-10-14(12-13)20-3/h8-10,12,18H,4-7,11H2,1-3H3,(H2,17,19)
InChIKeySMLXLJJEWXEKNM-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.32
Rot. Bonds9

About 2-(3-methoxyanilino)-2-methyloctanamide

2-(3-methoxyanilino)-2-methyloctanamide (PubChem CID 61005310) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-2-methyloctanamide.

Molecular Properties

Compound Name2-(3-methoxyanilino)-2-methyloctanamide
PubChem CID61005310
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(3-methoxyanilino)-2-methyloctanamide
SMILESCCCCCCC(C)(Nc1cccc(OC)c1)C(N)=O
InChIInChI=1S/C16H26N2O2/c1-4-5-6-7-11-16(2,15(17)19)18-13-9-8-10-14(12-13)20-3/h8-10,12,18H,4-7,11H2,1-3H3,(H2,17,19)
InChIKeySMLXLJJEWXEKNM-UHFFFAOYSA-N
XLogP3.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-2-(3-methoxyanilino)hexanamide
CID 63953655
4,4-dimethoxy-2-(3-methoxyanilino)-2-methylbutanamide
CID 66181211
2-(3-methoxyanilino)-2-methylheptan-1-ol
CID 80558936
methyl 2-methyl-2-(3-methylanilino)octanoate
CID 63524625
2-(4-methoxyanilino)-2-methylpentanamide
CID 54889125
2-methyl-2-(3-methylanilino)nonanoic acid
CID 60994073
2-(3-methoxyanilino)-2-phenylpropanamide
CID 60990885
N-hexyl-3-methoxyaniline
CID 15500485
methyl 2-anilino-2-methyloctanoate
CID 54890030
ethyl 2-(3-methoxyanilino)-2,5-dimethylhexanoate
CID 60992871
2-(3-methoxyanilino)-2,3-dimethylbutanamide
CID 54892227
2-(3-fluoro-5-methylanilino)-2-methylnonanamide
CID 79044705

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-2-methyloctanamide?
The IUPAC name of 2-(3-methoxyanilino)-2-methyloctanamide (CID 61005310) is 2-(3-methoxyanilino)-2-methyloctanamide.
What is the SMILES notation for 2-(3-methoxyanilino)-2-methyloctanamide?
The canonical SMILES for 2-(3-methoxyanilino)-2-methyloctanamide is CCCCCCC(C)(Nc1cccc(OC)c1)C(N)=O.
What is the InChIKey of 2-(3-methoxyanilino)-2-methyloctanamide?
The InChIKey is SMLXLJJEWXEKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-5-6-7-11-16(2,15(17)19)18-13-9-8-10-14(12-13)20-3/h8-10,12,18H,4-7,11H2,1-3H3,(H2,17,19).
What are the key properties of 2-(3-methoxyanilino)-2-methyloctanamide?
2-(3-methoxyanilino)-2-methyloctanamide has a molecular weight of 278.40 g/mol, XLogP of 3.32, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-2-methyloctanamide is sourced from PubChem (CID 61005310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).