N-[2-(4-aminophenoxy)ethyl]benzamide

C15H16N2O2 — CID 14121577

IUPACN-[2-(4-aminophenoxy)ethyl]benzamide
SMILESNc1ccc(OCCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H16N2O2/c16-13-6-8-14(9-7-13)19-11-10-17-15(18)12-4-2-1-3-5-12/h1-9H,10-11,16H2,(H,17,18)
InChIKeyCJPSGXGLKMIGEV-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.08
Rot. Bonds5

About N-[2-(4-aminophenoxy)ethyl]benzamide

N-[2-(4-aminophenoxy)ethyl]benzamide (PubChem CID 14121577) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[2-(4-aminophenoxy)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-aminophenoxy)ethyl]benzamide
PubChem CID14121577
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-[2-(4-aminophenoxy)ethyl]benzamide
SMILESNc1ccc(OCCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H16N2O2/c16-13-6-8-14(9-7-13)19-11-10-17-15(18)12-4-2-1-3-5-12/h1-9H,10-11,16H2,(H,17,18)
InChIKeyCJPSGXGLKMIGEV-UHFFFAOYSA-N
XLogP2.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide
CID 39373072
4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide
CID 3026991
N-[2-(4-aminophenoxy)ethyl]-3,5-dichlorobenzamide
CID 61031479
N-[2-(4-aminophenoxy)ethyl]-3,5-dibromobenzamide
CID 107971002
3-amino-N-(3-phenoxypropyl)benzamide
CID 62074463
N-[2-(4-aminophenoxy)ethyl]-2,3-dihydroxybenzamide
CID 114343182
3-(4-aminophenoxy)propylcarbamic acid
CID 22640978
4-amino-3,5-difluoro-N-(2-phenoxyethyl)benzamide
CID 63185424
N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide
CID 27861644
N-[2-[[N'-methyl-N-[2-(4-methylphenoxy)ethyl]carbamimidoyl]amino]ethyl]benzamide
CID 111276599
3-amino-5-nitro-N-(2-phenoxyethyl)benzamide
CID 143923153
N-[3-[[ethylamino-(2-phenoxyethylamino)methylidene]amino]propyl]benzamide
CID 111005793

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenoxy)ethyl]benzamide?
The IUPAC name of N-[2-(4-aminophenoxy)ethyl]benzamide (CID 14121577) is N-[2-(4-aminophenoxy)ethyl]benzamide.
What is the SMILES notation for N-[2-(4-aminophenoxy)ethyl]benzamide?
The canonical SMILES for N-[2-(4-aminophenoxy)ethyl]benzamide is Nc1ccc(OCCNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-aminophenoxy)ethyl]benzamide?
The InChIKey is CJPSGXGLKMIGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c16-13-6-8-14(9-7-13)19-11-10-17-15(18)12-4-2-1-3-5-12/h1-9H,10-11,16H2,(H,17,18).
What are the key properties of N-[2-(4-aminophenoxy)ethyl]benzamide?
N-[2-(4-aminophenoxy)ethyl]benzamide has a molecular weight of 256.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenoxy)ethyl]benzamide is sourced from PubChem (CID 14121577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).