N-[6-oxo-6-(5-oxopyrrolidin-2-yl)hexyl]-2,5-bis(phenylmethoxy)benzamide

C31H34N2O5 — CID 67833101

IUPACN-[6-oxo-6-(5-oxopyrrolidin-2-yl)hexyl]-2,5-bis(phenylmethoxy)benzamide
SMILESO=C1CCC(C(=O)CCCCCNC(=O)c2cc(OCc3ccccc3)ccc2OCc2ccccc2)N1
InChIInChI=1S/C31H34N2O5/c34-28(27-16-18-30(35)33-27)14-8-3-9-19-32-31(36)26-20-25(37-21-23-10-4-1-5-11-23)15-17-29(26)38-22-24-12-6-2-7-13-24/h1-2,4-7,10-13,15,17,20,27H,3,8-9,14,16,18-19,21-22H2,(H,32,36)(H,33,35)
InChIKeyUPCBHVJMMLJGOF-UHFFFAOYSA-N
MW514.62 g/mol
LogP4.98
Rot. Bonds14

About N-[6-oxo-6-(5-oxopyrrolidin-2-yl)hexyl]-2,5-bis(phenylmethoxy)benzamide

N-[6-oxo-6-(5-oxopyrrolidin-2-yl)hexyl]-2,5-bis(phenylmethoxy)benzamide (PubChem CID 67833101) has the molecular formula C31H34N2O5 and a molecular weight of 514.62 g/mol. Its IUPAC name is N-[6-oxo-6-(5-oxopyrrolidin-2-yl)hexyl]-2,5-bis(phenylmethoxy)benzamide.

Molecular Properties

Compound NameN-[6-oxo-6-(5-oxopyrrolidin-2-yl)hexyl]-2,5-bis(phenylmethoxy)benzamide
PubChem CID67833101
Molecular FormulaC31H34N2O5
Molecular Weight514.62 g/mol
Exact Mass514.25
IUPAC NameN-[6-oxo-6-(5-oxopyrrolidin-2-yl)hexyl]-2,5-bis(phenylmethoxy)benzamide
SMILESO=C1CCC(C(=O)CCCCCNC(=O)c2cc(OCc3ccccc3)ccc2OCc2ccccc2)N1
InChIInChI=1S/C31H34N2O5/c34-28(27-16-18-30(35)33-27)14-8-3-9-19-32-31(36)26-20-25(37-21-23-10-4-1-5-11-23)15-17-29(26)38-22-24-12-6-2-7-13-24/h1-2,4-7,10-13,15,17,20,27H,3,8-9,14,16,18-19,21-22H2,(H,32,36)(H,33,35)
InChIKeyUPCBHVJMMLJGOF-UHFFFAOYSA-N
XLogP4.98
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.62
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-hydroxyhexyl)-2,5-bis(phenylmethoxy)benzamide
CID 67718157
N-[4-(methylamino)-4-oxobutyl]-2,5-bis(phenylmethoxy)benzamide
CID 67653350
2,5-bis(phenylmethoxy)-N-(2-piperidin-1-ylethyl)benzamide
CID 139616736
3-[2,5-bis(phenylmethoxy)phenyl]-3-oxopropanoic acid
CID 170887038
2,5-dimethoxy-N-(4-phenoxybutyl)benzamide
CID 18120226
1-(2-decoxy-5-phenylmethoxyphenyl)ethanone
CID 86036913
2-phenyl-N-(2-phenylethyl)-5-phenylmethoxybenzamide
CID 16663785
2-(2-methoxyphenyl)-N-(2-phenylethyl)-5-phenylmethoxybenzamide
CID 16663908
(2R)-5-oxo-N-phenylmethoxypyrrolidine-2-carboxamide
CID 103648882
2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-5-phenylmethoxy-1-benzothiophene-3-carboxamide
CID 170599542
methyl (2R)-5-phenylmethoxy-2,3-dihydro-1H-indole-2-carboxylate
CID 57219346
2-(3-methoxyphenyl)-5-phenylmethoxy-N-(3-phenylpropyl)benzamide
CID 16663907

Frequently Asked Questions

What is the IUPAC name of N-[6-oxo-6-(5-oxopyrrolidin-2-yl)hexyl]-2,5-bis(phenylmethoxy)benzamide?
The IUPAC name of N-[6-oxo-6-(5-oxopyrrolidin-2-yl)hexyl]-2,5-bis(phenylmethoxy)benzamide (CID 67833101) is N-[6-oxo-6-(5-oxopyrrolidin-2-yl)hexyl]-2,5-bis(phenylmethoxy)benzamide.
What is the SMILES notation for N-[6-oxo-6-(5-oxopyrrolidin-2-yl)hexyl]-2,5-bis(phenylmethoxy)benzamide?
The canonical SMILES for N-[6-oxo-6-(5-oxopyrrolidin-2-yl)hexyl]-2,5-bis(phenylmethoxy)benzamide is O=C1CCC(C(=O)CCCCCNC(=O)c2cc(OCc3ccccc3)ccc2OCc2ccccc2)N1.
What is the InChIKey of N-[6-oxo-6-(5-oxopyrrolidin-2-yl)hexyl]-2,5-bis(phenylmethoxy)benzamide?
The InChIKey is UPCBHVJMMLJGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O5/c34-28(27-16-18-30(35)33-27)14-8-3-9-19-32-31(36)26-20-25(37-21-23-10-4-1-5-11-23)15-17-29(26)38-22-24-12-6-2-7-13-24/h1-2,4-7,10-13,15,17,20,27H,3,8-9,14,16,18-19,21-22H2,(H,32,36)(H,33,35).
What are the key properties of N-[6-oxo-6-(5-oxopyrrolidin-2-yl)hexyl]-2,5-bis(phenylmethoxy)benzamide?
N-[6-oxo-6-(5-oxopyrrolidin-2-yl)hexyl]-2,5-bis(phenylmethoxy)benzamide has a molecular weight of 514.62 g/mol, XLogP of 4.98, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-oxo-6-(5-oxopyrrolidin-2-yl)hexyl]-2,5-bis(phenylmethoxy)benzamide is sourced from PubChem (CID 67833101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).