2-phenyl-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxamide

C29H33NO2 — CID 88612734

IUPAC2-phenyl-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxamide
SMILESNC(=O)C1(c2ccccc2)OC1c1ccccc1CCCCCCCCc1ccccc1
InChIInChI=1S/C29H33NO2/c30-28(31)29(25-20-11-6-12-21-25)27(32-29)26-22-14-13-19-24(26)18-10-4-2-1-3-7-15-23-16-8-5-9-17-23/h5-6,8-9,11-14,16-17,19-22,27H,1-4,7,10,15,18H2,(H2,30,31)
InChIKeyKGEMDZXZLJMPJF-UHFFFAOYSA-N
MW427.59 g/mol
LogP6.26
Rot. Bonds12

About 2-phenyl-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxamide

2-phenyl-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxamide (PubChem CID 88612734) has the molecular formula C29H33NO2 and a molecular weight of 427.59 g/mol. Its IUPAC name is 2-phenyl-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxamide.

Molecular Properties

Compound Name2-phenyl-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxamide
PubChem CID88612734
Molecular FormulaC29H33NO2
Molecular Weight427.59 g/mol
Exact Mass427.25
IUPAC Name2-phenyl-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxamide
SMILESNC(=O)C1(c2ccccc2)OC1c1ccccc1CCCCCCCCc1ccccc1
InChIInChI=1S/C29H33NO2/c30-28(31)29(25-20-11-6-12-21-25)27(32-29)26-22-14-13-19-24(26)18-10-4-2-1-3-7-15-23-16-8-5-9-17-23/h5-6,8-9,11-14,16-17,19-22,27H,1-4,7,10,15,18H2,(H2,30,31)
InChIKeyKGEMDZXZLJMPJF-UHFFFAOYSA-N
XLogP6.26
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-phenyl-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxamide 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

(2R,3S)-2-naphthalen-2-yl-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxylate
CID 22879913
(2R,3S)-2-(4-bromophenyl)-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carbaldehyde
CID 173359680
phenyl-[3-[2-(8-phenyloctyl)phenyl]oxiran-2-yl]methanone
CID 85305924
(4-bromophenyl)-[(2S,3R)-3-[2-(8-phenyloctyl)phenyl]oxiran-2-yl]methanone
CID 54401761
2-(12-phenyldodecyl)phenol
CID 70505621
2-hydroxy-8-phenyloctanamide
CID 66822616
2-[2-(3-phenylpropyl)phenyl]acetic acid
CID 23284627
(4-bromophenyl) (2R,3S)-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxylate
CID 54233659
8-phenyloctyl carbamate
CID 67180735
naphthalen-2-yl (2S,3R)-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxylate
CID 54222053
ethyl 2,3-diphenyloxirane-2-carboxylate
CID 12916722
15-phenylpentadecanoic acid
CID 2737151

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxamide?
The IUPAC name of 2-phenyl-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxamide (CID 88612734) is 2-phenyl-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxamide.
What is the SMILES notation for 2-phenyl-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxamide?
The canonical SMILES for 2-phenyl-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxamide is NC(=O)C1(c2ccccc2)OC1c1ccccc1CCCCCCCCc1ccccc1.
What is the InChIKey of 2-phenyl-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxamide?
The InChIKey is KGEMDZXZLJMPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO2/c30-28(31)29(25-20-11-6-12-21-25)27(32-29)26-22-14-13-19-24(26)18-10-4-2-1-3-7-15-23-16-8-5-9-17-23/h5-6,8-9,11-14,16-17,19-22,27H,1-4,7,10,15,18H2,(H2,30,31).
What are the key properties of 2-phenyl-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxamide?
2-phenyl-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxamide has a molecular weight of 427.59 g/mol, XLogP of 6.26, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[2-(8-phenyloctyl)phenyl]oxirane-2-carboxamide is sourced from PubChem (CID 88612734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).