N-ethyl-3-[2-methyl-6-(propylaminomethyl)phenoxy]propanamide

C16H26N2O2 — CID 115952878

IUPACN-ethyl-3-[2-methyl-6-(propylaminomethyl)phenoxy]propanamide
SMILESCCCNCc1cccc(C)c1OCCC(=O)NCC
InChIInChI=1S/C16H26N2O2/c1-4-10-17-12-14-8-6-7-13(3)16(14)20-11-9-15(19)18-5-2/h6-8,17H,4-5,9-12H2,1-3H3,(H,18,19)
InChIKeyULWUYDHKOFXRNL-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.40
Rot. Bonds9

About N-ethyl-3-[2-methyl-6-(propylaminomethyl)phenoxy]propanamide

N-ethyl-3-[2-methyl-6-(propylaminomethyl)phenoxy]propanamide (PubChem CID 115952878) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-ethyl-3-[2-methyl-6-(propylaminomethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[2-methyl-6-(propylaminomethyl)phenoxy]propanamide
PubChem CID115952878
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-ethyl-3-[2-methyl-6-(propylaminomethyl)phenoxy]propanamide
SMILESCCCNCc1cccc(C)c1OCCC(=O)NCC
InChIInChI=1S/C16H26N2O2/c1-4-10-17-12-14-8-6-7-13(3)16(14)20-11-9-15(19)18-5-2/h6-8,17H,4-5,9-12H2,1-3H3,(H,18,19)
InChIKeyULWUYDHKOFXRNL-UHFFFAOYSA-N
XLogP2.40
TPSA50.36 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 ≤ 52.40
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

3-[2-bromo-6-(propylaminomethyl)phenoxy]-N-ethylpropanamide
CID 62325837
methyl 3-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate
CID 112609166
3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylpropanamide
CID 115954979
2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 115952813
1-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
CID 115952861
N-methyl-2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 115952798
3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]pentan-3-ol
CID 114492299
3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide
CID 79882732
N-ethyl-3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63055805
ethyl 2-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate
CID 115952848
N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
CID 97179094
N-[[2-(3-fluoropropoxy)-3-methylphenyl]methyl]ethanamine
CID 112609046

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[2-methyl-6-(propylaminomethyl)phenoxy]propanamide?
The IUPAC name of N-ethyl-3-[2-methyl-6-(propylaminomethyl)phenoxy]propanamide (CID 115952878) is N-ethyl-3-[2-methyl-6-(propylaminomethyl)phenoxy]propanamide.
What is the SMILES notation for N-ethyl-3-[2-methyl-6-(propylaminomethyl)phenoxy]propanamide?
The canonical SMILES for N-ethyl-3-[2-methyl-6-(propylaminomethyl)phenoxy]propanamide is CCCNCc1cccc(C)c1OCCC(=O)NCC.
What is the InChIKey of N-ethyl-3-[2-methyl-6-(propylaminomethyl)phenoxy]propanamide?
The InChIKey is ULWUYDHKOFXRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-10-17-12-14-8-6-7-13(3)16(14)20-11-9-15(19)18-5-2/h6-8,17H,4-5,9-12H2,1-3H3,(H,18,19).
What are the key properties of N-ethyl-3-[2-methyl-6-(propylaminomethyl)phenoxy]propanamide?
N-ethyl-3-[2-methyl-6-(propylaminomethyl)phenoxy]propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[2-methyl-6-(propylaminomethyl)phenoxy]propanamide is sourced from PubChem (CID 115952878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).