3-[1-(2-methoxyphenyl)propylamino]-N,2,2-trimethylpropanamide

C16H26N2O2 — CID 103917225

IUPAC3-[1-(2-methoxyphenyl)propylamino]-N,2,2-trimethylpropanamide
SMILESCCC(NCC(C)(C)C(=O)NC)c1ccccc1OC
InChIInChI=1S/C16H26N2O2/c1-6-13(12-9-7-8-10-14(12)20-5)18-11-16(2,3)15(19)17-4/h7-10,13,18H,6,11H2,1-5H3,(H,17,19)
InChIKeyMMUOXTBJYVSEKX-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.51
Rot. Bonds7

About 3-[1-(2-methoxyphenyl)propylamino]-N,2,2-trimethylpropanamide

3-[1-(2-methoxyphenyl)propylamino]-N,2,2-trimethylpropanamide (PubChem CID 103917225) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[1-(2-methoxyphenyl)propylamino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[1-(2-methoxyphenyl)propylamino]-N,2,2-trimethylpropanamide
PubChem CID103917225
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-[1-(2-methoxyphenyl)propylamino]-N,2,2-trimethylpropanamide
SMILESCCC(NCC(C)(C)C(=O)NC)c1ccccc1OC
InChIInChI=1S/C16H26N2O2/c1-6-13(12-9-7-8-10-14(12)20-5)18-11-16(2,3)15(19)17-4/h7-10,13,18H,6,11H2,1-5H3,(H,17,19)
InChIKeyMMUOXTBJYVSEKX-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-hydroxyphenyl)propylamino]-N,2,2-trimethylpropanamide
CID 104664689
3-[1-(2-ethoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide
CID 103917249
3-[[1-(2-methoxyphenyl)propylamino]methyl]pentan-3-ol
CID 65108193
2-ethoxy-N-[1-(2-methoxyphenyl)propyl]-2-methylpropan-1-amine
CID 114940978
2,2-difluoro-3-[1-(2-methoxyphenyl)propylamino]propan-1-ol
CID 113463328
3-[1-(2-methoxyphenyl)propylamino]propanoic acid
CID 43774787
methyl 2-[1-(2-methoxyphenyl)propylamino]-2-methylpropanoate
CID 43787124
2-(ethylamino)-N-[1-(2-methoxyphenyl)propyl]-2-methylpropanamide
CID 62833066
3-[1-(2-methoxy-5-methylphenyl)ethylamino]-N,2,2-trimethylpropanamide
CID 104536098
N-[2-[1-(2-methoxyphenyl)propylamino]ethyl]acetamide
CID 43770341
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
(2R)-2-amino-N-[1-(2-methoxyphenyl)propyl]-3,3-dimethylbutanamide
CID 103928736

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyphenyl)propylamino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[1-(2-methoxyphenyl)propylamino]-N,2,2-trimethylpropanamide (CID 103917225) is 3-[1-(2-methoxyphenyl)propylamino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[1-(2-methoxyphenyl)propylamino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[1-(2-methoxyphenyl)propylamino]-N,2,2-trimethylpropanamide is CCC(NCC(C)(C)C(=O)NC)c1ccccc1OC.
What is the InChIKey of 3-[1-(2-methoxyphenyl)propylamino]-N,2,2-trimethylpropanamide?
The InChIKey is MMUOXTBJYVSEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-13(12-9-7-8-10-14(12)20-5)18-11-16(2,3)15(19)17-4/h7-10,13,18H,6,11H2,1-5H3,(H,17,19).
What are the key properties of 3-[1-(2-methoxyphenyl)propylamino]-N,2,2-trimethylpropanamide?
3-[1-(2-methoxyphenyl)propylamino]-N,2,2-trimethylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyphenyl)propylamino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 103917225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).