N,N-dimethyl-4-[2-methyl-6-(methylaminomethyl)phenoxy]butanamide

C15H24N2O2 — CID 112608394

IUPACN,N-dimethyl-4-[2-methyl-6-(methylaminomethyl)phenoxy]butanamide
SMILESCNCc1cccc(C)c1OCCCC(=O)N(C)C
InChIInChI=1S/C15H24N2O2/c1-12-7-5-8-13(11-16-2)15(12)19-10-6-9-14(18)17(3)4/h5,7-8,16H,6,9-11H2,1-4H3
InChIKeyGXTSCSPWHQQFNG-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.96
Rot. Bonds7

About N,N-dimethyl-4-[2-methyl-6-(methylaminomethyl)phenoxy]butanamide

N,N-dimethyl-4-[2-methyl-6-(methylaminomethyl)phenoxy]butanamide (PubChem CID 112608394) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-methyl-6-(methylaminomethyl)phenoxy]butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-methyl-6-(methylaminomethyl)phenoxy]butanamide
PubChem CID112608394
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN,N-dimethyl-4-[2-methyl-6-(methylaminomethyl)phenoxy]butanamide
SMILESCNCc1cccc(C)c1OCCCC(=O)N(C)C
InChIInChI=1S/C15H24N2O2/c1-12-7-5-8-13(11-16-2)15(12)19-10-6-9-14(18)17(3)4/h5,7-8,16H,6,9-11H2,1-4H3
InChIKeyGXTSCSPWHQQFNG-UHFFFAOYSA-N
XLogP1.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine
CID 112608352
1-(2-decoxy-3-methylphenyl)-N-methylmethanamine
CID 115952261
1-[2-(4,4-dimethylpentoxy)-3-methylphenyl]-N-methylmethanamine
CID 114209330
N,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propanamide
CID 54879203
4-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylbutanamide
CID 115955089
4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N,N-dimethylbutanamide
CID 104664419
2-[3-(dimethylamino)-3-oxopropoxy]-3-methylbenzoic acid
CID 54879270
4-[2-fluoro-6-(hydroxymethyl)phenoxy]-N,N-dimethylbutanamide
CID 112613189
1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608228
methyl 4-[2-fluoro-6-(methylaminomethyl)phenoxy]butanoate
CID 112608740
N-methyl-1-[3-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]methanamine
CID 106722446
2-[2-(hydroxymethyl)-6-methylphenoxy]-N,N-dimethylacetamide
CID 112612351

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-methyl-6-(methylaminomethyl)phenoxy]butanamide?
The IUPAC name of N,N-dimethyl-4-[2-methyl-6-(methylaminomethyl)phenoxy]butanamide (CID 112608394) is N,N-dimethyl-4-[2-methyl-6-(methylaminomethyl)phenoxy]butanamide.
What is the SMILES notation for N,N-dimethyl-4-[2-methyl-6-(methylaminomethyl)phenoxy]butanamide?
The canonical SMILES for N,N-dimethyl-4-[2-methyl-6-(methylaminomethyl)phenoxy]butanamide is CNCc1cccc(C)c1OCCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-4-[2-methyl-6-(methylaminomethyl)phenoxy]butanamide?
The InChIKey is GXTSCSPWHQQFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12-7-5-8-13(11-16-2)15(12)19-10-6-9-14(18)17(3)4/h5,7-8,16H,6,9-11H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[2-methyl-6-(methylaminomethyl)phenoxy]butanamide?
N,N-dimethyl-4-[2-methyl-6-(methylaminomethyl)phenoxy]butanamide has a molecular weight of 264.37 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-methyl-6-(methylaminomethyl)phenoxy]butanamide is sourced from PubChem (CID 112608394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).