N'-[(1-phenylcyclopentyl)methyl]-N-(2-phenylethyl)oxamide

C22H26N2O2 — CID 5096408

IUPACN'-[(1-phenylcyclopentyl)methyl]-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C22H26N2O2/c25-20(23-16-13-18-9-3-1-4-10-18)21(26)24-17-22(14-7-8-15-22)19-11-5-2-6-12-19/h1-6,9-12H,7-8,13-17H2,(H,23,25)(H,24,26)
InChIKeyFITPJYWBPIPECW-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.97
Rot. Bonds6

About N'-[(1-phenylcyclopentyl)methyl]-N-(2-phenylethyl)oxamide

N'-[(1-phenylcyclopentyl)methyl]-N-(2-phenylethyl)oxamide (PubChem CID 5096408) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N'-[(1-phenylcyclopentyl)methyl]-N-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-[(1-phenylcyclopentyl)methyl]-N-(2-phenylethyl)oxamide
PubChem CID5096408
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN'-[(1-phenylcyclopentyl)methyl]-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C22H26N2O2/c25-20(23-16-13-18-9-3-1-4-10-18)21(26)24-17-22(14-7-8-15-22)19-11-5-2-6-12-19/h1-6,9-12H,7-8,13-17H2,(H,23,25)(H,24,26)
InChIKeyFITPJYWBPIPECW-UHFFFAOYSA-N
XLogP2.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(1-phenylcyclopentyl)methyl]-N-(2-phenylethyl)oxamide?
The IUPAC name of N'-[(1-phenylcyclopentyl)methyl]-N-(2-phenylethyl)oxamide (CID 5096408) is N'-[(1-phenylcyclopentyl)methyl]-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-[(1-phenylcyclopentyl)methyl]-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-[(1-phenylcyclopentyl)methyl]-N-(2-phenylethyl)oxamide is O=C(NCCc1ccccc1)C(=O)NCC1(c2ccccc2)CCCC1.
What is the InChIKey of N'-[(1-phenylcyclopentyl)methyl]-N-(2-phenylethyl)oxamide?
The InChIKey is FITPJYWBPIPECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-20(23-16-13-18-9-3-1-4-10-18)21(26)24-17-22(14-7-8-15-22)19-11-5-2-6-12-19/h1-6,9-12H,7-8,13-17H2,(H,23,25)(H,24,26).
What are the key properties of N'-[(1-phenylcyclopentyl)methyl]-N-(2-phenylethyl)oxamide?
N'-[(1-phenylcyclopentyl)methyl]-N-(2-phenylethyl)oxamide has a molecular weight of 350.46 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-phenylcyclopentyl)methyl]-N-(2-phenylethyl)oxamide is sourced from PubChem (CID 5096408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).