N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)propanamide

C14H22N2O4 — CID 60919078

IUPACN-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)propanamide
SMILESCOCCCOC(C)C(=O)Nc1cc(N)ccc1OC
InChIInChI=1S/C14H22N2O4/c1-10(20-8-4-7-18-2)14(17)16-12-9-11(15)5-6-13(12)19-3/h5-6,9-10H,4,7-8,15H2,1-3H3,(H,16,17)
InChIKeyBWSNHDAVVUWYFR-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.66
Rot. Bonds8

About N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)propanamide

N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)propanamide (PubChem CID 60919078) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)propanamide
PubChem CID60919078
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC NameN-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)propanamide
SMILESCOCCCOC(C)C(=O)Nc1cc(N)ccc1OC
InChIInChI=1S/C14H22N2O4/c1-10(20-8-4-7-18-2)14(17)16-12-9-11(15)5-6-13(12)19-3/h5-6,9-10H,4,7-8,15H2,1-3H3,(H,16,17)
InChIKeyBWSNHDAVVUWYFR-UHFFFAOYSA-N
XLogP1.66
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methoxyphenyl)-2-ethoxypropanamide
CID 16783991
N-(5-amino-2-methoxyphenyl)-2-methylpropanamide
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CID 102980701
N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)acetamide
CID 54936528
N-(5-amino-2-methylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560223
N-(2-amino-4-chlorophenyl)-2-(3-methoxypropoxy)propanamide
CID 54936288
N-(5-amino-2-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]propanamide
CID 61449940
N-(5-amino-2-fluorophenyl)-2-butoxypropanamide
CID 43267510
N-(5-amino-2-methoxyphenyl)-2-[ethyl(propyl)amino]propanamide
CID 43268403
N-(5-amino-2-fluorophenyl)-2-propoxypropanamide
CID 43247874
N-(4-amino-2-methylphenyl)-2-heptoxypropanamide
CID 43127072
N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)propanamide
CID 107753666

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)propanamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)propanamide (CID 60919078) is N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)propanamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)propanamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)propanamide is COCCCOC(C)C(=O)Nc1cc(N)ccc1OC.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)propanamide?
The InChIKey is BWSNHDAVVUWYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-10(20-8-4-7-18-2)14(17)16-12-9-11(15)5-6-13(12)19-3/h5-6,9-10H,4,7-8,15H2,1-3H3,(H,16,17).
What are the key properties of N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)propanamide?
N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)propanamide has a molecular weight of 282.34 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)propanamide is sourced from PubChem (CID 60919078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).