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

C14H22N2O4 — CID 120985903

IUPAC2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide
SMILESCOCCOc1ccc(CNC(=O)C(N)COC)cc1
InChIInChI=1S/C14H22N2O4/c1-18-7-8-20-12-5-3-11(4-6-12)9-16-14(17)13(15)10-19-2/h3-6,13H,7-10,15H2,1-2H3,(H,16,17)
InChIKeyOLUNWRUIEXOABL-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.30
Rot. Bonds9

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

2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide (PubChem CID 120985903) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide
PubChem CID120985903
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide
SMILESCOCCOc1ccc(CNC(=O)C(N)COC)cc1
InChIInChI=1S/C14H22N2O4/c1-18-7-8-20-12-5-3-11(4-6-12)9-16-14(17)13(15)10-19-2/h3-6,13H,7-10,15H2,1-2H3,(H,16,17)
InChIKeyOLUNWRUIEXOABL-UHFFFAOYSA-N
XLogP0.30
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(4-ethoxyphenyl)methyl]-3-methoxypropanamide
CID 120985316
(2S)-2-amino-N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-methylpentanamide
CID 119723292
2-amino-3-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120985987
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide
CID 81088298
(2R)-2-amino-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 54757279
2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide
CID 68649669
2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride
CID 68649668
2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120985182
2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide
CID 81089075
[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid
CID 170306694
2-amino-3-methyl-N-[(4-propoxyphenyl)methyl]pentanamide;hydrochloride
CID 119714373
N-[4-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 81071747

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide?
The IUPAC name of 2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide (CID 120985903) is 2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide is COCCOc1ccc(CNC(=O)C(N)COC)cc1.
What is the InChIKey of 2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide?
The InChIKey is OLUNWRUIEXOABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-18-7-8-20-12-5-3-11(4-6-12)9-16-14(17)13(15)10-19-2/h3-6,13H,7-10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide?
2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide has a molecular weight of 282.34 g/mol, XLogP of 0.30, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 120985903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).