3-amino-4-[2-(3-methoxypropoxy)ethoxymethyl]benzamide

C14H22N2O4 — CID 103176862

IUPAC3-amino-4-[2-(3-methoxypropoxy)ethoxymethyl]benzamide
SMILESCOCCCOCCOCc1ccc(C(N)=O)cc1N
InChIInChI=1S/C14H22N2O4/c1-18-5-2-6-19-7-8-20-10-12-4-3-11(14(16)17)9-13(12)15/h3-4,9H,2,5-8,10,15H2,1H3,(H2,16,17)
InChIKeyMJGZYRGDSJCFEC-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.94
Rot. Bonds10

About 3-amino-4-[2-(3-methoxypropoxy)ethoxymethyl]benzamide

3-amino-4-[2-(3-methoxypropoxy)ethoxymethyl]benzamide (PubChem CID 103176862) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-amino-4-[2-(3-methoxypropoxy)ethoxymethyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[2-(3-methoxypropoxy)ethoxymethyl]benzamide
PubChem CID103176862
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name3-amino-4-[2-(3-methoxypropoxy)ethoxymethyl]benzamide
SMILESCOCCCOCCOCc1ccc(C(N)=O)cc1N
InChIInChI=1S/C14H22N2O4/c1-18-5-2-6-19-7-8-20-10-12-4-3-11(14(16)17)9-13(12)15/h3-4,9H,2,5-8,10,15H2,1H3,(H2,16,17)
InChIKeyMJGZYRGDSJCFEC-UHFFFAOYSA-N
XLogP0.94
TPSA96.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.94
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

3-amino-4-[3-(2-methoxyethoxy)propoxymethyl]benzamide
CID 103401297
3-amino-4-(heptoxymethyl)benzamide
CID 43376790
3-chloro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoic acid
CID 103175941
3-amino-4-ethylbenzamide
CID 19977641
1-[3-amino-4-(2-methoxyethoxymethyl)phenyl]-2-(4-phenylphenyl)ethanone
CID 162242724
3-amino-4-[(2-methylpropan-2-yl)oxymethyl]benzamide
CID 43376807
3-fluoro-4-(3-methoxypropoxymethyl)benzenecarbothioamide
CID 54936205
3-(2-methoxyethoxy)propyl 3-amino-4-fluorobenzoate
CID 103403556
4-(3-aminopropoxymethyl)-3-chlorobenzamide
CID 102668854
2-(3-methoxypropoxy)ethyl 4-amino-3-chlorobenzoate
CID 103178284
4-[3-(2-methoxyethoxy)propoxymethyl]benzenecarbothioamide
CID 103402599
4-(2-aminoethoxymethyl)-3-methylbenzamide
CID 114484486

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[2-(3-methoxypropoxy)ethoxymethyl]benzamide?
The IUPAC name of 3-amino-4-[2-(3-methoxypropoxy)ethoxymethyl]benzamide (CID 103176862) is 3-amino-4-[2-(3-methoxypropoxy)ethoxymethyl]benzamide.
What is the SMILES notation for 3-amino-4-[2-(3-methoxypropoxy)ethoxymethyl]benzamide?
The canonical SMILES for 3-amino-4-[2-(3-methoxypropoxy)ethoxymethyl]benzamide is COCCCOCCOCc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-[2-(3-methoxypropoxy)ethoxymethyl]benzamide?
The InChIKey is MJGZYRGDSJCFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-18-5-2-6-19-7-8-20-10-12-4-3-11(14(16)17)9-13(12)15/h3-4,9H,2,5-8,10,15H2,1H3,(H2,16,17).
What are the key properties of 3-amino-4-[2-(3-methoxypropoxy)ethoxymethyl]benzamide?
3-amino-4-[2-(3-methoxypropoxy)ethoxymethyl]benzamide has a molecular weight of 282.34 g/mol, XLogP of 0.94, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[2-(3-methoxypropoxy)ethoxymethyl]benzamide is sourced from PubChem (CID 103176862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).