2-[3-(3-aminophenoxy)propoxy]benzamide

C16H18N2O3 — CID 43174426

IUPAC2-[3-(3-aminophenoxy)propoxy]benzamide
SMILESNC(=O)c1ccccc1OCCCOc1cccc(N)c1
InChIInChI=1S/C16H18N2O3/c17-12-5-3-6-13(11-12)20-9-4-10-21-15-8-2-1-7-14(15)16(18)19/h1-3,5-8,11H,4,9-10,17H2,(H2,18,19)
InChIKeyOIFVMFRHINDQDV-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.22
Rot. Bonds7

About 2-[3-(3-aminophenoxy)propoxy]benzamide

2-[3-(3-aminophenoxy)propoxy]benzamide (PubChem CID 43174426) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[3-(3-aminophenoxy)propoxy]benzamide.

Molecular Properties

Compound Name2-[3-(3-aminophenoxy)propoxy]benzamide
PubChem CID43174426
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[3-(3-aminophenoxy)propoxy]benzamide
SMILESNC(=O)c1ccccc1OCCCOc1cccc(N)c1
InChIInChI=1S/C16H18N2O3/c17-12-5-3-6-13(11-12)20-9-4-10-21-15-8-2-1-7-14(15)16(18)19/h1-3,5-8,11H,4,9-10,17H2,(H2,18,19)
InChIKeyOIFVMFRHINDQDV-UHFFFAOYSA-N
XLogP2.22
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.22
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

2-[2-[3-(aminomethyl)phenoxy]ethoxy]benzamide
CID 43254266
2-[4-(3-aminophenoxy)butoxy]aniline
CID 146356304
2-(4-amino-4-sulfanylidenebutoxy)benzamide
CID 24698755
2-[3-(4-methylsulfonylphenoxy)propoxy]benzamide
CID 51097857
N-[2-[2-(3-aminophenoxy)ethoxy]phenyl]acetamide
CID 43174395
2-(3-amino-3-oxopropoxy)benzamide
CID 60713061
2-[3-(3-methylphenoxy)propoxy]benzoic acid
CID 43214606
2-[(3-phenylmethoxyphenyl)methoxy]benzamide
CID 60603891
2-(4-methoxybutoxy)benzamide;dihydrochloride
CID 140972471
methyl 2-[3-(3-phenylphenoxy)propoxy]benzoate
CID 57078179
2-(4-phenoxybutoxy)benzoic acid
CID 67413317
3-[2-(2,4,5-trichlorophenoxy)ethoxy]aniline
CID 43365992

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-aminophenoxy)propoxy]benzamide?
The IUPAC name of 2-[3-(3-aminophenoxy)propoxy]benzamide (CID 43174426) is 2-[3-(3-aminophenoxy)propoxy]benzamide.
What is the SMILES notation for 2-[3-(3-aminophenoxy)propoxy]benzamide?
The canonical SMILES for 2-[3-(3-aminophenoxy)propoxy]benzamide is NC(=O)c1ccccc1OCCCOc1cccc(N)c1.
What is the InChIKey of 2-[3-(3-aminophenoxy)propoxy]benzamide?
The InChIKey is OIFVMFRHINDQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c17-12-5-3-6-13(11-12)20-9-4-10-21-15-8-2-1-7-14(15)16(18)19/h1-3,5-8,11H,4,9-10,17H2,(H2,18,19).
What are the key properties of 2-[3-(3-aminophenoxy)propoxy]benzamide?
2-[3-(3-aminophenoxy)propoxy]benzamide has a molecular weight of 286.33 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-aminophenoxy)propoxy]benzamide is sourced from PubChem (CID 43174426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).