3-amino-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-N-methylpropanamide

C15H24N2O2 — CID 94694459

IUPAC3-amino-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-N-methylpropanamide
SMILESCCc1ccc(OC)c(CCN(C)C(=O)CCN)c1
InChIInChI=1S/C15H24N2O2/c1-4-12-5-6-14(19-3)13(11-12)8-10-17(2)15(18)7-9-16/h5-6,11H,4,7-10,16H2,1-3H3
InChIKeyOOFYBWLBCLYVDW-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.61
Rot. Bonds7

About 3-amino-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-N-methylpropanamide

3-amino-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-N-methylpropanamide (PubChem CID 94694459) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-N-methylpropanamide
PubChem CID94694459
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-amino-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-N-methylpropanamide
SMILESCCc1ccc(OC)c(CCN(C)C(=O)CCN)c1
InChIInChI=1S/C15H24N2O2/c1-4-12-5-6-14(19-3)13(11-12)8-10-17(2)15(18)7-9-16/h5-6,11H,4,7-10,16H2,1-3H3
InChIKeyOOFYBWLBCLYVDW-UHFFFAOYSA-N
XLogP1.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 115155352
4-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylbutanamide
CID 115155476
4-(5-ethyl-2-methoxyphenyl)-N-methylbutanehydrazide
CID 116845108
4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-methylbutanamide
CID 115155486
2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetic acid
CID 115005474
3-(5-ethyl-2-methoxyphenyl)propanoic acid
CID 82126594
2-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 117040130
N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methyl-3-(methylamino)propanamide
CID 115153278
3-hydroxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylpropanamide
CID 115139401
3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 39355922
3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94687738
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-hydroxy-N-methylpropanamide
CID 115139416

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-N-methylpropanamide?
The IUPAC name of 3-amino-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-N-methylpropanamide (CID 94694459) is 3-amino-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-N-methylpropanamide?
The canonical SMILES for 3-amino-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-N-methylpropanamide is CCc1ccc(OC)c(CCN(C)C(=O)CCN)c1.
What is the InChIKey of 3-amino-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-N-methylpropanamide?
The InChIKey is OOFYBWLBCLYVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-12-5-6-14(19-3)13(11-12)8-10-17(2)15(18)7-9-16/h5-6,11H,4,7-10,16H2,1-3H3.
What are the key properties of 3-amino-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-N-methylpropanamide?
3-amino-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-N-methylpropanamide has a molecular weight of 264.37 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 94694459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).