2-[1-(4-ethoxyphenyl)ethylamino]propanamide

C13H20N2O2 — CID 43402762

IUPAC2-[1-(4-ethoxyphenyl)ethylamino]propanamide
SMILESCCOc1ccc(C(C)NC(C)C(N)=O)cc1
InChIInChI=1S/C13H20N2O2/c1-4-17-12-7-5-11(6-8-12)9(2)15-10(3)13(14)16/h5-10,15H,4H2,1-3H3,(H2,14,16)
InChIKeyHXPHTQWXLUYWDL-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.61
Rot. Bonds6

About 2-[1-(4-ethoxyphenyl)ethylamino]propanamide

2-[1-(4-ethoxyphenyl)ethylamino]propanamide (PubChem CID 43402762) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[1-(4-ethoxyphenyl)ethylamino]propanamide.

Molecular Properties

Compound Name2-[1-(4-ethoxyphenyl)ethylamino]propanamide
PubChem CID43402762
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[1-(4-ethoxyphenyl)ethylamino]propanamide
SMILESCCOc1ccc(C(C)NC(C)C(N)=O)cc1
InChIInChI=1S/C13H20N2O2/c1-4-17-12-7-5-11(6-8-12)9(2)15-10(3)13(14)16/h5-10,15H,4H2,1-3H3,(H2,14,16)
InChIKeyHXPHTQWXLUYWDL-UHFFFAOYSA-N
XLogP1.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenyl)-3-hydroxybutanamide
CID 152610342
ethyl 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propanoate
CID 81370863
2-[1-(4-ethoxyphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 47016534
2-[1-(4-ethoxyphenyl)ethylamino]-N-methylacetamide
CID 43215162
2-(4-ethoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 54891036
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine
CID 81356975
methyl 2-(4-ethoxyphenyl)propanoate
CID 62394502
2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide
CID 43713696
2-[1-(4-ethoxyphenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 47016419
2-[1-(4-phenylphenyl)ethylamino]propanamide
CID 43398020
N-[1-(4-ethoxyphenyl)ethyl]pentan-2-amine
CID 43191473
N-[1-(4-ethoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 43788964

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxyphenyl)ethylamino]propanamide?
The IUPAC name of 2-[1-(4-ethoxyphenyl)ethylamino]propanamide (CID 43402762) is 2-[1-(4-ethoxyphenyl)ethylamino]propanamide.
What is the SMILES notation for 2-[1-(4-ethoxyphenyl)ethylamino]propanamide?
The canonical SMILES for 2-[1-(4-ethoxyphenyl)ethylamino]propanamide is CCOc1ccc(C(C)NC(C)C(N)=O)cc1.
What is the InChIKey of 2-[1-(4-ethoxyphenyl)ethylamino]propanamide?
The InChIKey is HXPHTQWXLUYWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-17-12-7-5-11(6-8-12)9(2)15-10(3)13(14)16/h5-10,15H,4H2,1-3H3,(H2,14,16).
What are the key properties of 2-[1-(4-ethoxyphenyl)ethylamino]propanamide?
2-[1-(4-ethoxyphenyl)ethylamino]propanamide has a molecular weight of 236.31 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxyphenyl)ethylamino]propanamide is sourced from PubChem (CID 43402762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).