2-(2-aminoethyl)-N-ethyl-3-methyl-N-phenylbutanamide

C15H24N2O — CID 112516009

IUPAC2-(2-aminoethyl)-N-ethyl-3-methyl-N-phenylbutanamide
SMILESCCN(C(=O)C(CCN)C(C)C)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-4-17(13-8-6-5-7-9-13)15(18)14(10-11-16)12(2)3/h5-9,12,14H,4,10-11,16H2,1-3H3
InChIKeyYRSVKESRICPLFM-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.66
Rot. Bonds6

About 2-(2-aminoethyl)-N-ethyl-3-methyl-N-phenylbutanamide

2-(2-aminoethyl)-N-ethyl-3-methyl-N-phenylbutanamide (PubChem CID 112516009) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-ethyl-3-methyl-N-phenylbutanamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-ethyl-3-methyl-N-phenylbutanamide
PubChem CID112516009
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(2-aminoethyl)-N-ethyl-3-methyl-N-phenylbutanamide
SMILESCCN(C(=O)C(CCN)C(C)C)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-4-17(13-8-6-5-7-9-13)15(18)14(10-11-16)12(2)3/h5-9,12,14H,4,10-11,16H2,1-3H3
InChIKeyYRSVKESRICPLFM-UHFFFAOYSA-N
XLogP2.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11492533
2-chloro-N-ethyl-N,2-diphenylacetamide
CID 43245479
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CID 80543945
N,N'-diethyl-N,N',2-triphenylpropanediamide
CID 3397142
4-amino-N-ethyl-N-phenylbutanamide;hydrochloride
CID 119261842
N-ethyl-2,3-dihydroxy-N-phenylpropanamide
CID 11195148
(2S)-N-ethyl-2-phenoxy-N-phenylpropanamide
CID 670227
N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide
CID 79196237
N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide;hydrochloride
CID 119670324
2-[butyl(methyl)amino]-N-ethyl-N-phenylpropanamide
CID 78821968
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-ethyl-N-phenylpropanamide
CID 120758926
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-ethyl-N-phenylpropanamide;hydrochloride
CID 120758925

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-ethyl-3-methyl-N-phenylbutanamide?
The IUPAC name of 2-(2-aminoethyl)-N-ethyl-3-methyl-N-phenylbutanamide (CID 112516009) is 2-(2-aminoethyl)-N-ethyl-3-methyl-N-phenylbutanamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-ethyl-3-methyl-N-phenylbutanamide?
The canonical SMILES for 2-(2-aminoethyl)-N-ethyl-3-methyl-N-phenylbutanamide is CCN(C(=O)C(CCN)C(C)C)c1ccccc1.
What is the InChIKey of 2-(2-aminoethyl)-N-ethyl-3-methyl-N-phenylbutanamide?
The InChIKey is YRSVKESRICPLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-17(13-8-6-5-7-9-13)15(18)14(10-11-16)12(2)3/h5-9,12,14H,4,10-11,16H2,1-3H3.
What are the key properties of 2-(2-aminoethyl)-N-ethyl-3-methyl-N-phenylbutanamide?
2-(2-aminoethyl)-N-ethyl-3-methyl-N-phenylbutanamide has a molecular weight of 248.37 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-ethyl-3-methyl-N-phenylbutanamide is sourced from PubChem (CID 112516009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).