3-amino-N-(3-phenoxypropyl)benzamide

C16H18N2O2 — CID 62074463

IUPAC3-amino-N-(3-phenoxypropyl)benzamide
SMILESNc1cccc(C(=O)NCCCOc2ccccc2)c1
InChIInChI=1S/C16H18N2O2/c17-14-7-4-6-13(12-14)16(19)18-10-5-11-20-15-8-2-1-3-9-15/h1-4,6-9,12H,5,10-11,17H2,(H,18,19)
InChIKeyRJWKHZUKKPTBPJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.47
Rot. Bonds6

About 3-amino-N-(3-phenoxypropyl)benzamide

3-amino-N-(3-phenoxypropyl)benzamide (PubChem CID 62074463) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-amino-N-(3-phenoxypropyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(3-phenoxypropyl)benzamide
PubChem CID62074463
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-amino-N-(3-phenoxypropyl)benzamide
SMILESNc1cccc(C(=O)NCCCOc2ccccc2)c1
InChIInChI=1S/C16H18N2O2/c17-14-7-4-6-13(12-14)16(19)18-10-5-11-20-15-8-2-1-3-9-15/h1-4,6-9,12H,5,10-11,17H2,(H,18,19)
InChIKeyRJWKHZUKKPTBPJ-UHFFFAOYSA-N
XLogP2.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride
CID 119739690
3-[(3-aminobenzoyl)amino]propyl sulfamate
CID 121382844
N-[2-(4-aminophenoxy)ethyl]benzamide
CID 14121577
3-amino-N-(4-phenylbutyl)benzamide;hydrochloride
CID 19353694
3,5-dibromo-N-(3-phenoxypropyl)benzamide
CID 107980421
N-[2-(3-aminophenoxy)ethyl]-4-hydroxybenzamide
CID 61031492
N-[2-(3-aminophenoxy)ethyl]-3,5-dihydroxybenzamide
CID 107702195
3-[(3-aminobenzoyl)amino]-N-[3-[[3-[(3-aminobenzoyl)amino]-5-benzamidobenzoyl]amino]propyl]-5-benzamidobenzamide
CID 10259687
4-amino-N-(3-phenoxypropyl)-1H-pyrrole-2-carboxamide
CID 62378932
N-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide
CID 39373072
3-(2-phenylethoxy)-N-[8-[[3-(2-phenylethoxy)benzoyl]amino]octyl]benzamide
CID 17233441
3-methyl-N-[2-oxo-2-(3-phenoxypropylamino)ethyl]benzamide
CID 51241490

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-phenoxypropyl)benzamide?
The IUPAC name of 3-amino-N-(3-phenoxypropyl)benzamide (CID 62074463) is 3-amino-N-(3-phenoxypropyl)benzamide.
What is the SMILES notation for 3-amino-N-(3-phenoxypropyl)benzamide?
The canonical SMILES for 3-amino-N-(3-phenoxypropyl)benzamide is Nc1cccc(C(=O)NCCCOc2ccccc2)c1.
What is the InChIKey of 3-amino-N-(3-phenoxypropyl)benzamide?
The InChIKey is RJWKHZUKKPTBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-14-7-4-6-13(12-14)16(19)18-10-5-11-20-15-8-2-1-3-9-15/h1-4,6-9,12H,5,10-11,17H2,(H,18,19).
What are the key properties of 3-amino-N-(3-phenoxypropyl)benzamide?
3-amino-N-(3-phenoxypropyl)benzamide has a molecular weight of 270.33 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-phenoxypropyl)benzamide is sourced from PubChem (CID 62074463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).