(2S)-2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentanamide

C15H24N2O3 — CID 107568802

IUPAC(2S)-2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccc(C)cc1OCCOC
InChIInChI=1S/C15H24N2O3/c1-4-5-12(16)15(18)17-13-7-6-11(2)10-14(13)20-9-8-19-3/h6-7,10,12H,4-5,8-9,16H2,1-3H3,(H,17,18)/t12-/m0/s1
InChIKeyKNKRBCBUGUHXBS-LBPRGKRZSA-N
MW280.37 g/mol
LogP2.09
Rot. Bonds8

About (2S)-2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentanamide

(2S)-2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentanamide (PubChem CID 107568802) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentanamide
PubChem CID107568802
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name(2S)-2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccc(C)cc1OCCOC
InChIInChI=1S/C15H24N2O3/c1-4-5-12(16)15(18)17-13-7-6-11(2)10-14(13)20-9-8-19-3/h6-7,10,12H,4-5,8-9,16H2,1-3H3,(H,17,18)/t12-/m0/s1
InChIKeyKNKRBCBUGUHXBS-LBPRGKRZSA-N
XLogP2.09
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]butanamide
CID 54862844
2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
CID 107904095
N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(methylamino)propanamide
CID 62639493
(2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
CID 93255538
2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
CID 43650206
2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
2-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119298223
3-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119726873
2-amino-N-(2-propoxyphenyl)pentanamide
CID 43702443
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119291233
2-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]pentanamide
CID 119302610
2-amino-N-(2-ethoxy-4-fluorophenyl)pentanamide;hydrochloride
CID 119286704

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentanamide (CID 107568802) is (2S)-2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentanamide is CCC[C@H](N)C(=O)Nc1ccc(C)cc1OCCOC.
What is the InChIKey of (2S)-2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentanamide?
The InChIKey is KNKRBCBUGUHXBS-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-5-12(16)15(18)17-13-7-6-11(2)10-14(13)20-9-8-19-3/h6-7,10,12H,4-5,8-9,16H2,1-3H3,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentanamide?
(2S)-2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentanamide has a molecular weight of 280.37 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentanamide is sourced from PubChem (CID 107568802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).