N-(5-amino-2-methylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide

C15H24N2O4 — CID 104560223

IUPACN-(5-amino-2-methylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide
SMILESCOCCOCCOC(C)C(=O)Nc1cc(N)ccc1C
InChIInChI=1S/C15H24N2O4/c1-11-4-5-13(16)10-14(11)17-15(18)12(2)21-9-8-20-7-6-19-3/h4-5,10,12H,6-9,16H2,1-3H3,(H,17,18)
InChIKeyDTGJLIXQPDFTPW-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.58
Rot. Bonds9

About N-(5-amino-2-methylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide

N-(5-amino-2-methylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide (PubChem CID 104560223) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide
PubChem CID104560223
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC NameN-(5-amino-2-methylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide
SMILESCOCCOCCOC(C)C(=O)Nc1cc(N)ccc1C
InChIInChI=1S/C15H24N2O4/c1-11-4-5-13(16)10-14(11)17-15(18)12(2)21-9-8-20-7-6-19-3/h4-5,10,12H,6-9,16H2,1-3H3,(H,17,18)
InChIKeyDTGJLIXQPDFTPW-UHFFFAOYSA-N
XLogP1.58
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.58
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-(4-amino-2-chlorophenyl)-2-(2-propoxyethoxy)propanamide
CID 63686885
N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)propanamide
CID 60919078
N-(4-amino-2-chlorophenyl)-2-(2-butoxyethoxy)propanamide
CID 43127117
N-(4-amino-2-chlorophenyl)-2-[2-(2-methylpropoxy)ethoxy]propanamide
CID 106447019
N-(5-amino-2-fluorophenyl)-2-propoxypropanamide
CID 43247874
N-(4-amino-2-methylphenyl)-2-heptoxypropanamide
CID 43127072
N-(3-amino-4-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560272
N-(5-amino-2-fluorophenyl)-2-butoxypropanamide
CID 43267510
N-(5-amino-2-methoxyphenyl)-2-ethoxypropanamide
CID 16783991
N-(5-amino-2-methylphenyl)-2-propylsulfinylpropanamide
CID 61302835
N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 120568425
N-(5-amino-2-methylphenyl)-2-(3-ethylphenoxy)propanamide
CID 24690713

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide (CID 104560223) is N-(5-amino-2-methylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide is COCCOCCOC(C)C(=O)Nc1cc(N)ccc1C.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide?
The InChIKey is DTGJLIXQPDFTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-11-4-5-13(16)10-14(11)17-15(18)12(2)21-9-8-20-7-6-19-3/h4-5,10,12H,6-9,16H2,1-3H3,(H,17,18).
What are the key properties of N-(5-amino-2-methylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide?
N-(5-amino-2-methylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide has a molecular weight of 296.37 g/mol, XLogP of 1.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]propanamide is sourced from PubChem (CID 104560223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).