(2S)-2-amino-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide

C15H24N2O — CID 94689619

IUPAC(2S)-2-amino-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
SMILESCCc1ccc(CCNC(=O)[C@@H](N)C(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-4-12-5-7-13(8-6-12)9-10-17-15(18)14(16)11(2)3/h5-8,11,14H,4,9-10,16H2,1-3H3,(H,17,18)/t14-/m0/s1
InChIKeyWOENGLBLHGVTCA-AWEZNQCLSA-N
MW248.37 g/mol
LogP1.89
Rot. Bonds6

About (2S)-2-amino-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide (PubChem CID 94689619) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
PubChem CID94689619
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2S)-2-amino-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
SMILESCCc1ccc(CCNC(=O)[C@@H](N)C(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-4-12-5-7-13(8-6-12)9-10-17-15(18)14(16)11(2)3/h5-8,11,14H,4,9-10,16H2,1-3H3,(H,17,18)/t14-/m0/s1
InChIKeyWOENGLBLHGVTCA-AWEZNQCLSA-N
XLogP1.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 79013339
4-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]ethyl]benzoic acid
CID 61160853
2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119263480
(2S)-2-amino-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 22690659
N-[2-(4-ethylphenyl)ethyl]-2-hydroxypropanamide
CID 115140882
2-(aminomethyl)-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 115187566
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide
CID 43566282
N-[2-(4-ethylphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119760944
2-cyano-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 115188642
2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride
CID 119288925
(2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 79013185
2-amino-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide
CID 68690999

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide (CID 94689619) is (2S)-2-amino-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide is CCc1ccc(CCNC(=O)[C@@H](N)C(C)C)cc1.
What is the InChIKey of (2S)-2-amino-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide?
The InChIKey is WOENGLBLHGVTCA-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-12-5-7-13(8-6-12)9-10-17-15(18)14(16)11(2)3/h5-8,11,14H,4,9-10,16H2,1-3H3,(H,17,18)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide has a molecular weight of 248.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 94689619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).