N-octan-2-yl-2-phenoxybenzamide

C21H27NO2 — CID 4673195

IUPACN-octan-2-yl-2-phenoxybenzamide
SMILESCCCCCCC(C)NC(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C21H27NO2/c1-3-4-5-7-12-17(2)22-21(23)19-15-10-11-16-20(19)24-18-13-8-6-9-14-18/h6,8-11,13-17H,3-5,7,12H2,1-2H3,(H,22,23)
InChIKeyZMDFEGOHHSGLFO-UHFFFAOYSA-N
MW325.45 g/mol
LogP5.57
Rot. Bonds9

About N-octan-2-yl-2-phenoxybenzamide

N-octan-2-yl-2-phenoxybenzamide (PubChem CID 4673195) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-octan-2-yl-2-phenoxybenzamide.

Molecular Properties

Compound NameN-octan-2-yl-2-phenoxybenzamide
PubChem CID4673195
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-octan-2-yl-2-phenoxybenzamide
SMILESCCCCCCC(C)NC(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C21H27NO2/c1-3-4-5-7-12-17(2)22-21(23)19-15-10-11-16-20(19)24-18-13-8-6-9-14-18/h6,8-11,13-17H,3-5,7,12H2,1-2H3,(H,22,23)
InChIKeyZMDFEGOHHSGLFO-UHFFFAOYSA-N
XLogP5.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-pentan-3-yl-2-phenoxybenzamide
CID 884731
N-[(2R)-1-methoxypropan-2-yl]-2-phenoxybenzamide
CID 884755
2-(2-amino-2-oxoethoxy)-N-heptan-2-ylbenzamide
CID 134017885
N-heptan-2-yl-2-hydroxy-3-methoxybenzamide
CID 60653869
2-fluoro-3-methyl-N-octan-2-ylbenzamide
CID 81480572
2-ethoxy-N-[(2R)-pentan-2-yl]benzamide
CID 1234495
2-[(2-phenoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 1251991
N-benzhydryl-2-phenoxybenzamide
CID 3401619
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-phenoxybenzoate
CID 2498353
N-[1-(benzylamino)-1-oxopropan-2-yl]-2-phenoxybenzamide
CID 60571640
N-butan-2-yl-2-methoxybenzamide
CID 3117660
2-[(2R)-octan-2-yl]oxybenzoic acid
CID 29003628

Frequently Asked Questions

What is the IUPAC name of N-octan-2-yl-2-phenoxybenzamide?
The IUPAC name of N-octan-2-yl-2-phenoxybenzamide (CID 4673195) is N-octan-2-yl-2-phenoxybenzamide.
What is the SMILES notation for N-octan-2-yl-2-phenoxybenzamide?
The canonical SMILES for N-octan-2-yl-2-phenoxybenzamide is CCCCCCC(C)NC(=O)c1ccccc1Oc1ccccc1.
What is the InChIKey of N-octan-2-yl-2-phenoxybenzamide?
The InChIKey is ZMDFEGOHHSGLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-3-4-5-7-12-17(2)22-21(23)19-15-10-11-16-20(19)24-18-13-8-6-9-14-18/h6,8-11,13-17H,3-5,7,12H2,1-2H3,(H,22,23).
What are the key properties of N-octan-2-yl-2-phenoxybenzamide?
N-octan-2-yl-2-phenoxybenzamide has a molecular weight of 325.45 g/mol, XLogP of 5.57, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-2-yl-2-phenoxybenzamide is sourced from PubChem (CID 4673195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).