1-N-[3-(2,3,3-triphenyloxiran-2-yl)propyl]cyclopentane-1,2-dicarboxamide

C30H32N2O3 — CID 122459600

IUPAC1-N-[3-(2,3,3-triphenyloxiran-2-yl)propyl]cyclopentane-1,2-dicarboxamide
SMILESNC(=O)C1CCCC1C(=O)NCCCC1(c2ccccc2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32N2O3/c31-27(33)25-18-10-19-26(25)28(34)32-21-11-20-29(22-12-4-1-5-13-22)30(35-29,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-9,12-17,25-26H,10-11,18-21H2,(H2,31,33)(H,32,34)
InChIKeyHXDVHJABPOKQBD-UHFFFAOYSA-N
MW468.60 g/mol
LogP4.65
Rot. Bonds9

About 1-N-[3-(2,3,3-triphenyloxiran-2-yl)propyl]cyclopentane-1,2-dicarboxamide

1-N-[3-(2,3,3-triphenyloxiran-2-yl)propyl]cyclopentane-1,2-dicarboxamide (PubChem CID 122459600) has the molecular formula C30H32N2O3 and a molecular weight of 468.60 g/mol. Its IUPAC name is 1-N-[3-(2,3,3-triphenyloxiran-2-yl)propyl]cyclopentane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[3-(2,3,3-triphenyloxiran-2-yl)propyl]cyclopentane-1,2-dicarboxamide
PubChem CID122459600
Molecular FormulaC30H32N2O3
Molecular Weight468.60 g/mol
Exact Mass468.24
IUPAC Name1-N-[3-(2,3,3-triphenyloxiran-2-yl)propyl]cyclopentane-1,2-dicarboxamide
SMILESNC(=O)C1CCCC1C(=O)NCCCC1(c2ccccc2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32N2O3/c31-27(33)25-18-10-19-26(25)28(34)32-21-11-20-29(22-12-4-1-5-13-22)30(35-29,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-9,12-17,25-26H,10-11,18-21H2,(H2,31,33)(H,32,34)
InChIKeyHXDVHJABPOKQBD-UHFFFAOYSA-N
XLogP4.65
TPSA84.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(2,3,3-triphenyloxiran-2-yl)propyl]cyclopentane-1,2-dicarboxamide?
The IUPAC name of 1-N-[3-(2,3,3-triphenyloxiran-2-yl)propyl]cyclopentane-1,2-dicarboxamide (CID 122459600) is 1-N-[3-(2,3,3-triphenyloxiran-2-yl)propyl]cyclopentane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[3-(2,3,3-triphenyloxiran-2-yl)propyl]cyclopentane-1,2-dicarboxamide?
The canonical SMILES for 1-N-[3-(2,3,3-triphenyloxiran-2-yl)propyl]cyclopentane-1,2-dicarboxamide is NC(=O)C1CCCC1C(=O)NCCCC1(c2ccccc2)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-N-[3-(2,3,3-triphenyloxiran-2-yl)propyl]cyclopentane-1,2-dicarboxamide?
The InChIKey is HXDVHJABPOKQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O3/c31-27(33)25-18-10-19-26(25)28(34)32-21-11-20-29(22-12-4-1-5-13-22)30(35-29,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-9,12-17,25-26H,10-11,18-21H2,(H2,31,33)(H,32,34).
What are the key properties of 1-N-[3-(2,3,3-triphenyloxiran-2-yl)propyl]cyclopentane-1,2-dicarboxamide?
1-N-[3-(2,3,3-triphenyloxiran-2-yl)propyl]cyclopentane-1,2-dicarboxamide has a molecular weight of 468.60 g/mol, XLogP of 4.65, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(2,3,3-triphenyloxiran-2-yl)propyl]cyclopentane-1,2-dicarboxamide is sourced from PubChem (CID 122459600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).