N-(4-amino-2-methylphenyl)-2-(3-methoxypropoxy)acetamide

C13H20N2O3 — CID 54936104

IUPACN-(4-amino-2-methylphenyl)-2-(3-methoxypropoxy)acetamide
SMILESCOCCCOCC(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C13H20N2O3/c1-10-8-11(14)4-5-12(10)15-13(16)9-18-7-3-6-17-2/h4-5,8H,3,6-7,9,14H2,1-2H3,(H,15,16)
InChIKeyQSLDTRVEACZPGW-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.57
Rot. Bonds7

About N-(4-amino-2-methylphenyl)-2-(3-methoxypropoxy)acetamide

N-(4-amino-2-methylphenyl)-2-(3-methoxypropoxy)acetamide (PubChem CID 54936104) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-(3-methoxypropoxy)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-(3-methoxypropoxy)acetamide
PubChem CID54936104
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(4-amino-2-methylphenyl)-2-(3-methoxypropoxy)acetamide
SMILESCOCCCOCC(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C13H20N2O3/c1-10-8-11(14)4-5-12(10)15-13(16)9-18-7-3-6-17-2/h4-5,8H,3,6-7,9,14H2,1-2H3,(H,15,16)
InChIKeyQSLDTRVEACZPGW-UHFFFAOYSA-N
XLogP1.57
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-methoxypropoxy)acetamide
CID 54936528
N-(5-amino-2-fluorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide
CID 103176942
N-(5-amino-2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide
CID 103401139
N-(2-amino-4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide
CID 103176913
N-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride
CID 120568568
N-(4-amino-2-methylphenyl)-3-hexoxypropanamide
CID 43127219
N-(4-amino-2-methylphenyl)propanamide
CID 839309
N-(4-amino-2-methylphenyl)-2-[(2-chlorophenyl)methoxy]acetamide
CID 29272651
N-(5-amino-2-methylphenyl)-2-(2-cyclobutylethoxy)acetamide
CID 106200107
N-(5-amino-2-methoxyphenyl)-2-pentoxyacetamide
CID 43275007
N-(4-amino-2-bromophenyl)-2-(2-butoxyethoxy)acetamide
CID 43376800
N-(2-amino-5-chlorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide
CID 103401181

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-(3-methoxypropoxy)acetamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-(3-methoxypropoxy)acetamide (CID 54936104) is N-(4-amino-2-methylphenyl)-2-(3-methoxypropoxy)acetamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-(3-methoxypropoxy)acetamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-(3-methoxypropoxy)acetamide is COCCCOCC(=O)Nc1ccc(N)cc1C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-(3-methoxypropoxy)acetamide?
The InChIKey is QSLDTRVEACZPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10-8-11(14)4-5-12(10)15-13(16)9-18-7-3-6-17-2/h4-5,8H,3,6-7,9,14H2,1-2H3,(H,15,16).
What are the key properties of N-(4-amino-2-methylphenyl)-2-(3-methoxypropoxy)acetamide?
N-(4-amino-2-methylphenyl)-2-(3-methoxypropoxy)acetamide has a molecular weight of 252.31 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-2-(3-methoxypropoxy)acetamide is sourced from PubChem (CID 54936104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).