2-(2-methoxy-5-methylanilino)-N-(3-methylbutyl)propanamide

C16H26N2O2 — CID 43113511

IUPAC2-(2-methoxy-5-methylanilino)-N-(3-methylbutyl)propanamide
SMILESCOc1ccc(C)cc1NC(C)C(=O)NCCC(C)C
InChIInChI=1S/C16H26N2O2/c1-11(2)8-9-17-16(19)13(4)18-14-10-12(3)6-7-15(14)20-5/h6-7,10-11,13,18H,8-9H2,1-5H3,(H,17,19)
InChIKeyZCCGWQCQBFJVCX-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.97
Rot. Bonds7

About 2-(2-methoxy-5-methylanilino)-N-(3-methylbutyl)propanamide

2-(2-methoxy-5-methylanilino)-N-(3-methylbutyl)propanamide (PubChem CID 43113511) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylanilino)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(2-methoxy-5-methylanilino)-N-(3-methylbutyl)propanamide
PubChem CID43113511
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(2-methoxy-5-methylanilino)-N-(3-methylbutyl)propanamide
SMILESCOc1ccc(C)cc1NC(C)C(=O)NCCC(C)C
InChIInChI=1S/C16H26N2O2/c1-11(2)8-9-17-16(19)13(4)18-14-10-12(3)6-7-15(14)20-5/h6-7,10-11,13,18H,8-9H2,1-5H3,(H,17,19)
InChIKeyZCCGWQCQBFJVCX-UHFFFAOYSA-N
XLogP2.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-5-methylanilino)propanamide
CID 40973919
2-(5-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide
CID 43113491
N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide
CID 46747955
2-(4-bromo-3-methoxyanilino)-N-(3-methylbutyl)propanamide
CID 82868278
methyl 3-(2-methoxy-5-methylanilino)butanoate
CID 43536710
4-N-(2-methoxy-5-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide
CID 109089696
2-(5-bromo-2-methylanilino)-N-(3-methylbutyl)propanamide
CID 43805994
2-methoxy-4-methyl-N-(3-methylbutyl)aniline
CID 60930975
N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875904
2-(4-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide
CID 43113611
(2R)-N-(5-chloro-2-pyridinyl)-2-(2-methoxy-5-methylanilino)propanamide
CID 35968819
2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide
CID 24690909

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylanilino)-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(2-methoxy-5-methylanilino)-N-(3-methylbutyl)propanamide (CID 43113511) is 2-(2-methoxy-5-methylanilino)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(2-methoxy-5-methylanilino)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(2-methoxy-5-methylanilino)-N-(3-methylbutyl)propanamide is COc1ccc(C)cc1NC(C)C(=O)NCCC(C)C.
What is the InChIKey of 2-(2-methoxy-5-methylanilino)-N-(3-methylbutyl)propanamide?
The InChIKey is ZCCGWQCQBFJVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)8-9-17-16(19)13(4)18-14-10-12(3)6-7-15(14)20-5/h6-7,10-11,13,18H,8-9H2,1-5H3,(H,17,19).
What are the key properties of 2-(2-methoxy-5-methylanilino)-N-(3-methylbutyl)propanamide?
2-(2-methoxy-5-methylanilino)-N-(3-methylbutyl)propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylanilino)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 43113511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).