3-[1-(2-methoxy-5-methylphenyl)ethylamino]-N,2,2-trimethylpropanamide

C16H26N2O2 — CID 104536098

IUPAC3-[1-(2-methoxy-5-methylphenyl)ethylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(C)c1cc(C)ccc1OC
InChIInChI=1S/C16H26N2O2/c1-11-7-8-14(20-6)13(9-11)12(2)18-10-16(3,4)15(19)17-5/h7-9,12,18H,10H2,1-6H3,(H,17,19)
InChIKeyUDOCJLHDVKJOBO-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.43
Rot. Bonds6

About 3-[1-(2-methoxy-5-methylphenyl)ethylamino]-N,2,2-trimethylpropanamide

3-[1-(2-methoxy-5-methylphenyl)ethylamino]-N,2,2-trimethylpropanamide (PubChem CID 104536098) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[1-(2-methoxy-5-methylphenyl)ethylamino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[1-(2-methoxy-5-methylphenyl)ethylamino]-N,2,2-trimethylpropanamide
PubChem CID104536098
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-[1-(2-methoxy-5-methylphenyl)ethylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(C)c1cc(C)ccc1OC
InChIInChI=1S/C16H26N2O2/c1-11-7-8-14(20-6)13(9-11)12(2)18-10-16(3,4)15(19)17-5/h7-9,12,18H,10H2,1-6H3,(H,17,19)
InChIKeyUDOCJLHDVKJOBO-UHFFFAOYSA-N
XLogP2.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 113262469
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-(methylamino)propanamide
CID 55121780
3-[1-(2-ethoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide
CID 103917249
N'-[1-(2-methoxy-5-methylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43192134
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide
CID 51212300
3-[1-(2-methoxyphenyl)propylamino]-N,2,2-trimethylpropanamide
CID 103917225
2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 62490240
1-[1-(2-methoxy-5-methylphenyl)ethylamino]-4,4-dimethylpentan-2-ol
CID 103784409
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842890
1,1,1-trifluoro-3-[1-(2-methoxy-5-methylphenyl)ethylamino]propan-2-ol
CID 103778660
N-[3-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630855
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxy-5-methylphenyl)ethylamino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[1-(2-methoxy-5-methylphenyl)ethylamino]-N,2,2-trimethylpropanamide (CID 104536098) is 3-[1-(2-methoxy-5-methylphenyl)ethylamino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[1-(2-methoxy-5-methylphenyl)ethylamino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[1-(2-methoxy-5-methylphenyl)ethylamino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNC(C)c1cc(C)ccc1OC.
What is the InChIKey of 3-[1-(2-methoxy-5-methylphenyl)ethylamino]-N,2,2-trimethylpropanamide?
The InChIKey is UDOCJLHDVKJOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-7-8-14(20-6)13(9-11)12(2)18-10-16(3,4)15(19)17-5/h7-9,12,18H,10H2,1-6H3,(H,17,19).
What are the key properties of 3-[1-(2-methoxy-5-methylphenyl)ethylamino]-N,2,2-trimethylpropanamide?
3-[1-(2-methoxy-5-methylphenyl)ethylamino]-N,2,2-trimethylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxy-5-methylphenyl)ethylamino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 104536098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).