2-[1-(4-ethylphenyl)ethylamino]-N-methylpropanamide

C14H22N2O — CID 60674323

IUPAC2-[1-(4-ethylphenyl)ethylamino]-N-methylpropanamide
SMILESCCc1ccc(C(C)NC(C)C(=O)NC)cc1
InChIInChI=1S/C14H22N2O/c1-5-12-6-8-13(9-7-12)10(2)16-11(3)14(17)15-4/h6-11,16H,5H2,1-4H3,(H,15,17)
InChIKeyVQYXWYUMCKXHOJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.03
Rot. Bonds5

About 2-[1-(4-ethylphenyl)ethylamino]-N-methylpropanamide

2-[1-(4-ethylphenyl)ethylamino]-N-methylpropanamide (PubChem CID 60674323) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[1-(4-ethylphenyl)ethylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[1-(4-ethylphenyl)ethylamino]-N-methylpropanamide
PubChem CID60674323
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[1-(4-ethylphenyl)ethylamino]-N-methylpropanamide
SMILESCCc1ccc(C(C)NC(C)C(=O)NC)cc1
InChIInChI=1S/C14H22N2O/c1-5-12-6-8-13(9-7-12)10(2)16-11(3)14(17)15-4/h6-11,16H,5H2,1-4H3,(H,15,17)
InChIKeyVQYXWYUMCKXHOJ-UHFFFAOYSA-N
XLogP2.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[1-(4-bromophenyl)ethylamino]-N-methylpropanamide
CID 103740453
N-methyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63866912
2-[1-(4-ethylphenyl)ethylamino]-N-methylacetamide
CID 43214669
(2R)-2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-N-methylpropanamide
CID 9410199
(2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide
CID 8992288
3-[1-(4-ethylphenyl)ethylamino]butanamide
CID 71902063
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylpropanamide
CID 43226762
2-[1-(4-propylphenyl)ethylamino]propanoic acid
CID 54959765
N-methyl-2-(1-thiophen-3-ylethylamino)propanamide
CID 62089126
N-cyclopropyl-2-[1-(4-propylphenyl)ethylamino]propanamide
CID 115672864
2-[1-(5-ethylthiophen-2-yl)ethylamino]-N-methylpropanamide
CID 61464605
(2R)-N-(4-acetamidophenyl)-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]propanamide
CID 8992097

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylphenyl)ethylamino]-N-methylpropanamide?
The IUPAC name of 2-[1-(4-ethylphenyl)ethylamino]-N-methylpropanamide (CID 60674323) is 2-[1-(4-ethylphenyl)ethylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[1-(4-ethylphenyl)ethylamino]-N-methylpropanamide?
The canonical SMILES for 2-[1-(4-ethylphenyl)ethylamino]-N-methylpropanamide is CCc1ccc(C(C)NC(C)C(=O)NC)cc1.
What is the InChIKey of 2-[1-(4-ethylphenyl)ethylamino]-N-methylpropanamide?
The InChIKey is VQYXWYUMCKXHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-12-6-8-13(9-7-12)10(2)16-11(3)14(17)15-4/h6-11,16H,5H2,1-4H3,(H,15,17).
What are the key properties of 2-[1-(4-ethylphenyl)ethylamino]-N-methylpropanamide?
2-[1-(4-ethylphenyl)ethylamino]-N-methylpropanamide has a molecular weight of 234.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethylphenyl)ethylamino]-N-methylpropanamide is sourced from PubChem (CID 60674323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).