(2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide

C13H20N2O4 — CID 119289355

IUPAC(2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
SMILESCOCCOc1cc(NC(=O)[C@H](C)N)ccc1OC
InChIInChI=1S/C13H20N2O4/c1-9(14)13(16)15-10-4-5-11(18-3)12(8-10)19-7-6-17-2/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16)/t9-/m0/s1
InChIKeyRGNXENOQBLIVIX-VIFPVBQESA-N
MW268.31 g/mol
LogP1.01
Rot. Bonds7

About (2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide

(2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide (PubChem CID 119289355) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
PubChem CID119289355
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name(2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
SMILESCOCCOc1cc(NC(=O)[C@H](C)N)ccc1OC
InChIInChI=1S/C13H20N2O4/c1-9(14)13(16)15-10-4-5-11(18-3)12(8-10)19-7-6-17-2/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16)/t9-/m0/s1
InChIKeyRGNXENOQBLIVIX-VIFPVBQESA-N
XLogP1.01
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide 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-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride
CID 119286172
2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide
CID 43696167
2-(4-chloro-2-methylphenoxy)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
CID 55624317
N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide
CID 112547835
2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 76893076
(2S)-2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 61154260
2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 43704147
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide
CID 55796411
(2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119286185
(2S)-2-amino-N-(4-bromo-3-methoxyphenyl)propanamide;hydrochloride
CID 119290157
2-(aminomethyl)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide
CID 65225450
(2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride
CID 119289412

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide (CID 119289355) is (2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide is COCCOc1cc(NC(=O)[C@H](C)N)ccc1OC.
What is the InChIKey of (2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide?
The InChIKey is RGNXENOQBLIVIX-VIFPVBQESA-N. The full InChI is InChI=1S/C13H20N2O4/c1-9(14)13(16)15-10-4-5-11(18-3)12(8-10)19-7-6-17-2/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide?
(2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide has a molecular weight of 268.31 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide is sourced from PubChem (CID 119289355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).