(2S)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-phenylbutanamide

C16H24N2O — CID 104983828

IUPAC(2S)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-phenylbutanamide
SMILESC=C(C)CN(CC)C(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C16H24N2O/c1-4-18(12-13(2)3)16(19)15(17)11-10-14-8-6-5-7-9-14/h5-9,15H,2,4,10-12,17H2,1,3H3/t15-/m0/s1
InChIKeyODXPESOLXAERBS-HNNXBMFYSA-N
MW260.38 g/mol
LogP2.37
Rot. Bonds7

About (2S)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-phenylbutanamide

(2S)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-phenylbutanamide (PubChem CID 104983828) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-phenylbutanamide
PubChem CID104983828
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(2S)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-phenylbutanamide
SMILESC=C(C)CN(CC)C(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C16H24N2O/c1-4-18(12-13(2)3)16(19)15(17)11-10-14-8-6-5-7-9-14/h5-9,15H,2,4,10-12,17H2,1,3H3/t15-/m0/s1
InChIKeyODXPESOLXAERBS-HNNXBMFYSA-N
XLogP2.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid
CID 104984270
(2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-4-phenylbutanamide
CID 104983957
2-[(2-amino-4-phenylbutanoyl)-propylamino]acetic acid
CID 114927997
2-amino-N-(2-cyanopropyl)-N-ethyl-4-phenylbutanamide
CID 114926862
(2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide
CID 107398372
3-amino-5-phenylpentan-2-one;propane
CID 143988472
2-amino-N-benzyl-N-(2-phenylethyl)pentanamide
CID 119264050
2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide
CID 103188646
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)-4-phenylbutanamide
CID 104984084
(2S)-2-amino-N-ethyl-N-(oxolan-2-ylmethyl)-4-phenylbutanamide
CID 104984220
2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide
CID 114924872
(2S)-2-amino-4-phenyl-N-propan-2-yl-N-propylbutanamide
CID 104983873

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-phenylbutanamide (CID 104983828) is (2S)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-phenylbutanamide is C=C(C)CN(CC)C(=O)[C@@H](N)CCc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-phenylbutanamide?
The InChIKey is ODXPESOLXAERBS-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-18(12-13(2)3)16(19)15(17)11-10-14-8-6-5-7-9-14/h5-9,15H,2,4,10-12,17H2,1,3H3/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-phenylbutanamide?
(2S)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-phenylbutanamide has a molecular weight of 260.38 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-phenylbutanamide is sourced from PubChem (CID 104983828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).