(2S)-2-amino-3-methyl-N-[4-(2-phenylethoxy)butyl]butanamide

C17H28N2O2 — CID 119293937

IUPAC(2S)-2-amino-3-methyl-N-[4-(2-phenylethoxy)butyl]butanamide
SMILESCC(C)[C@H](N)C(=O)NCCCCOCCc1ccccc1
InChIInChI=1S/C17H28N2O2/c1-14(2)16(18)17(20)19-11-6-7-12-21-13-10-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13,18H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyWPEXWPRTTIXTGC-INIZCTEOSA-N
MW292.42 g/mol
LogP2.13
Rot. Bonds10

About (2S)-2-amino-3-methyl-N-[4-(2-phenylethoxy)butyl]butanamide

(2S)-2-amino-3-methyl-N-[4-(2-phenylethoxy)butyl]butanamide (PubChem CID 119293937) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[4-(2-phenylethoxy)butyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[4-(2-phenylethoxy)butyl]butanamide
PubChem CID119293937
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(2S)-2-amino-3-methyl-N-[4-(2-phenylethoxy)butyl]butanamide
SMILESCC(C)[C@H](N)C(=O)NCCCCOCCc1ccccc1
InChIInChI=1S/C17H28N2O2/c1-14(2)16(18)17(20)19-11-6-7-12-21-13-10-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13,18H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyWPEXWPRTTIXTGC-INIZCTEOSA-N
XLogP2.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-3-methyl-N-[4-(2-phenylethoxy)butyl]butanamide 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

(2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide
CID 119298276
(2S)-2-amino-4-methyl-N-[3-(2-phenylethoxy)propyl]pentanamide
CID 119739711
N-[6-(2-phenylethoxy)hexyl]acetamide
CID 67657412
2-amino-2-(4-methylphenyl)-N-[3-(2-phenylethoxy)propyl]acetamide
CID 120667657
2-methyl-3-(methylamino)-N-[3-(2-phenylethoxy)propyl]propanamide;hydrochloride
CID 119739688
(2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide
CID 22690930
(2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide
CID 103796209
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
2-amino-N-benzyl-3-methylbutanamide
CID 14404632
(2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[3-(2-phenylethoxy)propyl]propanamide
CID 124830596
(2R)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)butanamide
CID 106011533
(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride
CID 70408513

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[4-(2-phenylethoxy)butyl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[4-(2-phenylethoxy)butyl]butanamide (CID 119293937) is (2S)-2-amino-3-methyl-N-[4-(2-phenylethoxy)butyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[4-(2-phenylethoxy)butyl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[4-(2-phenylethoxy)butyl]butanamide is CC(C)[C@H](N)C(=O)NCCCCOCCc1ccccc1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[4-(2-phenylethoxy)butyl]butanamide?
The InChIKey is WPEXWPRTTIXTGC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14(2)16(18)17(20)19-11-6-7-12-21-13-10-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13,18H2,1-2H3,(H,19,20)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[4-(2-phenylethoxy)butyl]butanamide?
(2S)-2-amino-3-methyl-N-[4-(2-phenylethoxy)butyl]butanamide has a molecular weight of 292.42 g/mol, XLogP of 2.13, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[4-(2-phenylethoxy)butyl]butanamide is sourced from PubChem (CID 119293937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).