(2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-4-phenylbutanamide

C18H30N2O — CID 104983957

IUPAC(2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-4-phenylbutanamide
SMILESCCC(CC)CN(CC)C(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C18H30N2O/c1-4-15(5-2)14-20(6-3)18(21)17(19)13-12-16-10-8-7-9-11-16/h7-11,15,17H,4-6,12-14,19H2,1-3H3/t17-/m0/s1
InChIKeyJZZXOTWTBKLWPP-KRWDZBQOSA-N
MW290.45 g/mol
LogP3.23
Rot. Bonds9

About (2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-4-phenylbutanamide

(2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-4-phenylbutanamide (PubChem CID 104983957) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-4-phenylbutanamide
PubChem CID104983957
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name(2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-4-phenylbutanamide
SMILESCCC(CC)CN(CC)C(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C18H30N2O/c1-4-15(5-2)14-20(6-3)18(21)17(19)13-12-16-10-8-7-9-11-16/h7-11,15,17H,4-6,12-14,19H2,1-3H3/t17-/m0/s1
InChIKeyJZZXOTWTBKLWPP-KRWDZBQOSA-N
XLogP3.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-4-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid
CID 104984270
2-amino-N-(2-cyanopropyl)-N-ethyl-4-phenylbutanamide
CID 114926862
(2S)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-phenylbutanamide
CID 104983828
(2R)-2-amino-N-ethyl-N-(2-ethylbutyl)pentanamide
CID 103795380
(2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide
CID 107398372
2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide
CID 103188646
2-[(2-amino-4-phenylbutanoyl)-propylamino]acetic acid
CID 114927997
2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 43273815
(2S)-2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 55150348
(2S)-2-amino-N-ethyl-N-(oxolan-2-ylmethyl)-4-phenylbutanamide
CID 104984220
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)-4-phenylbutanamide
CID 104984084
(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3-methylbutyl)-4-phenylbutanamide
CID 118589325

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-4-phenylbutanamide (CID 104983957) is (2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-4-phenylbutanamide is CCC(CC)CN(CC)C(=O)[C@@H](N)CCc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-4-phenylbutanamide?
The InChIKey is JZZXOTWTBKLWPP-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-15(5-2)14-20(6-3)18(21)17(19)13-12-16-10-8-7-9-11-16/h7-11,15,17H,4-6,12-14,19H2,1-3H3/t17-/m0/s1.
What are the key properties of (2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-4-phenylbutanamide?
(2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-4-phenylbutanamide has a molecular weight of 290.45 g/mol, XLogP of 3.23, 9 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-ethylbutyl)-4-phenylbutanamide is sourced from PubChem (CID 104983957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).