2-[1-(2-methoxy-4-methylphenyl)ethylamino]-N-propylpropanamide

C16H26N2O2 — CID 43781292

IUPAC2-[1-(2-methoxy-4-methylphenyl)ethylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(C)c1ccc(C)cc1OC
InChIInChI=1S/C16H26N2O2/c1-6-9-17-16(19)13(4)18-12(3)14-8-7-11(2)10-15(14)20-5/h7-8,10,12-13,18H,6,9H2,1-5H3,(H,17,19)
InChIKeyAOCLXUWZDDUIFP-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.57
Rot. Bonds7

About 2-[1-(2-methoxy-4-methylphenyl)ethylamino]-N-propylpropanamide

2-[1-(2-methoxy-4-methylphenyl)ethylamino]-N-propylpropanamide (PubChem CID 43781292) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[1-(2-methoxy-4-methylphenyl)ethylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[1-(2-methoxy-4-methylphenyl)ethylamino]-N-propylpropanamide
PubChem CID43781292
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[1-(2-methoxy-4-methylphenyl)ethylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(C)c1ccc(C)cc1OC
InChIInChI=1S/C16H26N2O2/c1-6-9-17-16(19)13(4)18-12(3)14-8-7-11(2)10-15(14)20-5/h7-8,10,12-13,18H,6,9H2,1-5H3,(H,17,19)
InChIKeyAOCLXUWZDDUIFP-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,4-dimethylphenyl)ethylamino]-N-propylpropanamide
CID 43684840
2-[1-(2-methoxy-4-methylphenyl)ethylamino]-N,N-dimethylpropanamide
CID 43778162
N-propyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide
CID 43684764
2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-propylpropanamide
CID 63639602
(2R)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide
CID 7581934
2-[1-(2,4-difluorophenyl)ethylamino]-N-propylpropanamide
CID 43226798
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylbutan-2-amine
CID 43773913
N-[1-(2-methoxy-4-methylphenyl)ethyl]hex-1-yn-3-amine
CID 106227116
2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]-N-propylacetamide
CID 63640126
1-methoxy-N-[1-(2-methoxy-4-methylphenyl)ethyl]propan-2-amine
CID 43758410
N-ethyl-2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanamide
CID 43574263
2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 51245605

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxy-4-methylphenyl)ethylamino]-N-propylpropanamide?
The IUPAC name of 2-[1-(2-methoxy-4-methylphenyl)ethylamino]-N-propylpropanamide (CID 43781292) is 2-[1-(2-methoxy-4-methylphenyl)ethylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[1-(2-methoxy-4-methylphenyl)ethylamino]-N-propylpropanamide?
The canonical SMILES for 2-[1-(2-methoxy-4-methylphenyl)ethylamino]-N-propylpropanamide is CCCNC(=O)C(C)NC(C)c1ccc(C)cc1OC.
What is the InChIKey of 2-[1-(2-methoxy-4-methylphenyl)ethylamino]-N-propylpropanamide?
The InChIKey is AOCLXUWZDDUIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-9-17-16(19)13(4)18-12(3)14-8-7-11(2)10-15(14)20-5/h7-8,10,12-13,18H,6,9H2,1-5H3,(H,17,19).
What are the key properties of 2-[1-(2-methoxy-4-methylphenyl)ethylamino]-N-propylpropanamide?
2-[1-(2-methoxy-4-methylphenyl)ethylamino]-N-propylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxy-4-methylphenyl)ethylamino]-N-propylpropanamide is sourced from PubChem (CID 43781292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).