N-methyl-2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide

C17H28N2O2 — CID 115952798

IUPACN-methyl-2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
SMILESCCCNCc1cccc(C)c1OCC(=O)N(C)C(C)C
InChIInChI=1S/C17H28N2O2/c1-6-10-18-11-15-9-7-8-14(4)17(15)21-12-16(20)19(5)13(2)3/h7-9,13,18H,6,10-12H2,1-5H3
InChIKeyVHYYIHSJBFGAET-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.74
Rot. Bonds8

About N-methyl-2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide

N-methyl-2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide (PubChem CID 115952798) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-methyl-2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
PubChem CID115952798
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-methyl-2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
SMILESCCCNCc1cccc(C)c1OCC(=O)N(C)C(C)C
InChIInChI=1S/C17H28N2O2/c1-6-10-18-11-15-9-7-8-14(4)17(15)21-12-16(20)19(5)13(2)3/h7-9,13,18H,6,10-12H2,1-5H3
InChIKeyVHYYIHSJBFGAET-UHFFFAOYSA-N
XLogP2.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.74
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

2-[2-(ethylaminomethyl)-6-methylphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 115952627
2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 115952813
ethyl 2-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate
CID 115952848
methyl 3-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate
CID 112609166
2-(2-formyl-6-methylphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 112611070
N-ethyl-3-[2-methyl-6-(propylaminomethyl)phenoxy]propanamide
CID 115952878
3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]pentan-3-ol
CID 114492299
N-cyclopropyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 115953467
N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
CID 97179094
2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 107687402
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 115953772
3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]phenol
CID 115952789

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of N-methyl-2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide (CID 115952798) is N-methyl-2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for N-methyl-2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for N-methyl-2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide is CCCNCc1cccc(C)c1OCC(=O)N(C)C(C)C.
What is the InChIKey of N-methyl-2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
The InChIKey is VHYYIHSJBFGAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-10-18-11-15-9-7-8-14(4)17(15)21-12-16(20)19(5)13(2)3/h7-9,13,18H,6,10-12H2,1-5H3.
What are the key properties of N-methyl-2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
N-methyl-2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide has a molecular weight of 292.42 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 115952798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).