4-amino-3-(2-phenoxyethoxy)benzamide

C15H16N2O3 — CID 63356795

IUPAC4-amino-3-(2-phenoxyethoxy)benzamide
SMILESNC(=O)c1ccc(N)c(OCCOc2ccccc2)c1
InChIInChI=1S/C15H16N2O3/c16-13-7-6-11(15(17)18)10-14(13)20-9-8-19-12-4-2-1-3-5-12/h1-7,10H,8-9,16H2,(H2,17,18)
InChIKeyYLDQVEUPEFOYCU-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.83
Rot. Bonds6

About 4-amino-3-(2-phenoxyethoxy)benzamide

4-amino-3-(2-phenoxyethoxy)benzamide (PubChem CID 63356795) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-amino-3-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound Name4-amino-3-(2-phenoxyethoxy)benzamide
PubChem CID63356795
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-amino-3-(2-phenoxyethoxy)benzamide
SMILESNC(=O)c1ccc(N)c(OCCOc2ccccc2)c1
InChIInChI=1S/C15H16N2O3/c16-13-7-6-11(15(17)18)10-14(13)20-9-8-19-12-4-2-1-3-5-12/h1-7,10H,8-9,16H2,(H2,17,18)
InChIKeyYLDQVEUPEFOYCU-UHFFFAOYSA-N
XLogP1.83
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.83
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'}

Analyze 4-amino-3-(2-phenoxyethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3-(3-hydroxypropoxy)benzamide
CID 63356843
4-amino-3-propoxybenzamide
CID 63356295
4-amino-3-(2-butoxyethoxy)benzamide
CID 63356668
methyl 3-amino-4-(2-phenoxyethoxy)benzoate
CID 61305621
4-[2-(2-methylphenoxy)ethoxy]benzamide
CID 7893411
4-amino-3-(3-amino-3-oxopropoxy)benzoic acid
CID 43379838
4-amino-3-(2-hydroxyethoxy)benzoic acid
CID 43379927
4-methoxy-2-(2-phenoxyethoxy)benzamide
CID 18085843
benzene-1,2-diamine;benzene-1,3,5-tricarboxamide
CID 67830844
4-[2-(3-bromophenoxy)ethoxy]benzamide
CID 26217003
3-(2-phenylethoxy)benzamide
CID 17135006
4-amino-3-[(4-methoxyphenyl)methoxy]benzamide
CID 63356500

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-phenoxyethoxy)benzamide?
The IUPAC name of 4-amino-3-(2-phenoxyethoxy)benzamide (CID 63356795) is 4-amino-3-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for 4-amino-3-(2-phenoxyethoxy)benzamide?
The canonical SMILES for 4-amino-3-(2-phenoxyethoxy)benzamide is NC(=O)c1ccc(N)c(OCCOc2ccccc2)c1.
What is the InChIKey of 4-amino-3-(2-phenoxyethoxy)benzamide?
The InChIKey is YLDQVEUPEFOYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c16-13-7-6-11(15(17)18)10-14(13)20-9-8-19-12-4-2-1-3-5-12/h1-7,10H,8-9,16H2,(H2,17,18).
What are the key properties of 4-amino-3-(2-phenoxyethoxy)benzamide?
4-amino-3-(2-phenoxyethoxy)benzamide has a molecular weight of 272.30 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 63356795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).