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

C17H28N2O3 — CID 119811330

IUPAC(2S)-2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-4-methylpentanamide
SMILESCOCCOc1cc(C)ccc1CNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C17H28N2O3/c1-12(2)9-15(18)17(20)19-11-14-6-5-13(3)10-16(14)22-8-7-21-4/h5-6,10,12,15H,7-9,11,18H2,1-4H3,(H,19,20)/t15-/m0/s1
InChIKeyLSJRNZPWLXGGGX-HNNXBMFYSA-N
MW308.42 g/mol
LogP2.01
Rot. Bonds9

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

(2S)-2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-4-methylpentanamide (PubChem CID 119811330) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-4-methylpentanamide
PubChem CID119811330
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name(2S)-2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-4-methylpentanamide
SMILESCOCCOc1cc(C)ccc1CNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C17H28N2O3/c1-12(2)9-15(18)17(20)19-11-14-6-5-13(3)10-16(14)22-8-7-21-4/h5-6,10,12,15H,7-9,11,18H2,1-4H3,(H,19,20)/t15-/m0/s1
InChIKeyLSJRNZPWLXGGGX-HNNXBMFYSA-N
XLogP2.01
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.01
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-3-methoxy-N-[(2-methoxy-4-methylphenyl)methyl]propanamide
CID 120992441
(2S)-2-amino-4-methyl-N-[(4-methyl-2-methylsulfanylphenyl)methyl]pentanamide
CID 119811710
2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120992363
2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpropanamide
CID 119339379
3-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119811618
(2S)-2-amino-N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-methylpentanamide
CID 119723292
5-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylbenzamide
CID 120637316
2-amino-N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]acetamide;hydrochloride
CID 119339710
4-amino-N-[(2-ethoxy-4-methylphenyl)methyl]pentanamide
CID 120563690
(2S)-2-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119339310
2-amino-N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795659
2-amino-3-methoxy-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]propanamide
CID 120992488

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-4-methylpentanamide (CID 119811330) is (2S)-2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-4-methylpentanamide is COCCOc1cc(C)ccc1CNC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-4-methylpentanamide?
The InChIKey is LSJRNZPWLXGGGX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-12(2)9-15(18)17(20)19-11-14-6-5-13(3)10-16(14)22-8-7-21-4/h5-6,10,12,15H,7-9,11,18H2,1-4H3,(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-4-methylpentanamide?
(2S)-2-amino-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-4-methylpentanamide has a molecular weight of 308.42 g/mol, XLogP of 2.01, 9 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]methyl]-4-methylpentanamide is sourced from PubChem (CID 119811330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).