(2S)-2-amino-N-(2-ethoxyethyl)-N-methyl-4-phenylbutanamide

C15H24N2O2 — CID 104984632

IUPAC(2S)-2-amino-N-(2-ethoxyethyl)-N-methyl-4-phenylbutanamide
SMILESCCOCCN(C)C(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-3-19-12-11-17(2)15(18)14(16)10-9-13-7-5-4-6-8-13/h4-8,14H,3,9-12,16H2,1-2H3/t14-/m0/s1
InChIKeyBCKWFRIKUFHLIE-AWEZNQCLSA-N
MW264.37 g/mol
LogP1.44
Rot. Bonds8

About (2S)-2-amino-N-(2-ethoxyethyl)-N-methyl-4-phenylbutanamide

(2S)-2-amino-N-(2-ethoxyethyl)-N-methyl-4-phenylbutanamide (PubChem CID 104984632) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-ethoxyethyl)-N-methyl-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-ethoxyethyl)-N-methyl-4-phenylbutanamide
PubChem CID104984632
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2S)-2-amino-N-(2-ethoxyethyl)-N-methyl-4-phenylbutanamide
SMILESCCOCCN(C)C(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-3-19-12-11-17(2)15(18)14(16)10-9-13-7-5-4-6-8-13/h4-8,14H,3,9-12,16H2,1-2H3/t14-/m0/s1
InChIKeyBCKWFRIKUFHLIE-AWEZNQCLSA-N
XLogP1.44
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-butyl-N-methyl-4-phenylbutanamide
CID 114924840
2-amino-N-(2-ethoxyethyl)-N-methylpentanamide
CID 81058843
N-(2-ethoxyethyl)-N-methylbenzamide
CID 81074695
(2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-phenylbutanamide
CID 104984250
3-amino-N-(2-ethoxyethyl)-N,2-dimethyl-3-phenylpropanamide
CID 81059342
2-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-phenylbutanamide
CID 114925251
2-amino-N-methyl-2-phenyl-N-(2-phenylmethoxyethyl)acetamide
CID 119345164
2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide
CID 114924872
(2S)-2-amino-N-methyl-N-(4-phenylbutyl)butanamide
CID 79024406
(2S)-2-amino-4-phenyl-N-propan-2-yl-N-propylbutanamide
CID 104983873
2-[(2-amino-4-phenylbutanoyl)-propylamino]acetic acid
CID 114927997
2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide
CID 103188646

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-ethoxyethyl)-N-methyl-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-ethoxyethyl)-N-methyl-4-phenylbutanamide (CID 104984632) is (2S)-2-amino-N-(2-ethoxyethyl)-N-methyl-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-ethoxyethyl)-N-methyl-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-ethoxyethyl)-N-methyl-4-phenylbutanamide is CCOCCN(C)C(=O)[C@@H](N)CCc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(2-ethoxyethyl)-N-methyl-4-phenylbutanamide?
The InChIKey is BCKWFRIKUFHLIE-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-19-12-11-17(2)15(18)14(16)10-9-13-7-5-4-6-8-13/h4-8,14H,3,9-12,16H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-ethoxyethyl)-N-methyl-4-phenylbutanamide?
(2S)-2-amino-N-(2-ethoxyethyl)-N-methyl-4-phenylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 1.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-ethoxyethyl)-N-methyl-4-phenylbutanamide is sourced from PubChem (CID 104984632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).