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

C13H20N2O4 — CID 54936528

IUPACN-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)acetamide
SMILESCOCCCOCC(=O)Nc1cc(N)ccc1OC
InChIInChI=1S/C13H20N2O4/c1-17-6-3-7-19-9-13(16)15-11-8-10(14)4-5-12(11)18-2/h4-5,8H,3,6-7,9,14H2,1-2H3,(H,15,16)
InChIKeyOKJBXRPECVQCNP-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.27
Rot. Bonds8

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

N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)acetamide (PubChem CID 54936528) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)acetamide
PubChem CID54936528
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)acetamide
SMILESCOCCCOCC(=O)Nc1cc(N)ccc1OC
InChIInChI=1S/C13H20N2O4/c1-17-6-3-7-19-9-13(16)15-11-8-10(14)4-5-12(11)18-2/h4-5,8H,3,6-7,9,14H2,1-2H3,(H,15,16)
InChIKeyOKJBXRPECVQCNP-UHFFFAOYSA-N
XLogP1.27
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.27
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-pentoxyacetamide
CID 43275007
N-(4-amino-2-methylphenyl)-2-(3-methoxypropoxy)acetamide
CID 54936104
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-(5-amino-2-methoxyphenyl)-4-(2-methoxyethylsulfanyl)butanamide
CID 43446037
N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)propanamide
CID 60919078
4-methoxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
CID 63744788
N-(2-amino-4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide
CID 103176913
N-(5-amino-2-methoxyphenyl)-4,4-dimethyl-3-oxopentanamide
CID 15475907
N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)acetamide
CID 18070547
2-(3-aminopropoxy)-N-(2-methoxyphenyl)acetamide
CID 62343841
N-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride
CID 120568568

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)acetamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)acetamide (CID 54936528) is N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)acetamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)acetamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)acetamide is COCCCOCC(=O)Nc1cc(N)ccc1OC.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)acetamide?
The InChIKey is OKJBXRPECVQCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-17-6-3-7-19-9-13(16)15-11-8-10(14)4-5-12(11)18-2/h4-5,8H,3,6-7,9,14H2,1-2H3,(H,15,16).
What are the key properties of N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)acetamide?
N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)acetamide has a molecular weight of 268.31 g/mol, XLogP of 1.27, 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)acetamide is sourced from PubChem (CID 54936528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).