2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide

C12H18N2O3 — CID 81089075

IUPAC2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide
SMILESCOCC(N)C(=O)NCCOc1ccccc1
InChIInChI=1S/C12H18N2O3/c1-16-9-11(13)12(15)14-7-8-17-10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3,(H,14,15)
InChIKeyHRYTWXZBWOCVIG-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.16
Rot. Bonds7

About 2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide

2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide (PubChem CID 81089075) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide
PubChem CID81089075
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide
SMILESCOCC(N)C(=O)NCCOc1ccccc1
InChIInChI=1S/C12H18N2O3/c1-16-9-11(13)12(15)14-7-8-17-10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3,(H,14,15)
InChIKeyHRYTWXZBWOCVIG-UHFFFAOYSA-N
XLogP0.16
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.16
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

2,3-diamino-N-(2-phenoxyethyl)propanamide
CID 59654100
2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride
CID 120987025
2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride
CID 119268582
(2R)-2-amino-N-(2-phenoxyethyl)-3-phenylpropanamide
CID 78984684
2-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]-3-methoxypropanamide
CID 120992852
2-amino-3-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120985987
2-amino-N-[2-(2-tert-butylphenoxy)ethyl]-3-methoxypropanamide
CID 120989442
2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide
CID 120985903
N-(2-phenoxyethyl)-2-sulfanylpropanamide
CID 107026809
2-bromo-N-(2-phenoxyethyl)propanamide
CID 82108617
2-amino-N-[2-(2-hydroxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120986590
2-amino-3-methoxy-N-(2-phenylpropyl)propanamide
CID 81089279

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide?
The IUPAC name of 2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide (CID 81089075) is 2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide is COCC(N)C(=O)NCCOc1ccccc1.
What is the InChIKey of 2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide?
The InChIKey is HRYTWXZBWOCVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-16-9-11(13)12(15)14-7-8-17-10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide?
2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide has a molecular weight of 238.29 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide is sourced from PubChem (CID 81089075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).