1-N-benzyl-1-phenylmethoxycyclopentane-1,3-dicarboxamide

C21H24N2O3 — CID 57181447

IUPAC1-N-benzyl-1-phenylmethoxycyclopentane-1,3-dicarboxamide
SMILESNC(=O)C1CCC(OCc2ccccc2)(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C21H24N2O3/c22-19(24)18-11-12-21(13-18,26-15-17-9-5-2-6-10-17)20(25)23-14-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H2,22,24)(H,23,25)
InChIKeyZAHACMQLZGIOKH-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.54
Rot. Bonds7

About 1-N-benzyl-1-phenylmethoxycyclopentane-1,3-dicarboxamide

1-N-benzyl-1-phenylmethoxycyclopentane-1,3-dicarboxamide (PubChem CID 57181447) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-N-benzyl-1-phenylmethoxycyclopentane-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-1-phenylmethoxycyclopentane-1,3-dicarboxamide
PubChem CID57181447
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-N-benzyl-1-phenylmethoxycyclopentane-1,3-dicarboxamide
SMILESNC(=O)C1CCC(OCc2ccccc2)(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C21H24N2O3/c22-19(24)18-11-12-21(13-18,26-15-17-9-5-2-6-10-17)20(25)23-14-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H2,22,24)(H,23,25)
InChIKeyZAHACMQLZGIOKH-UHFFFAOYSA-N
XLogP2.54
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-1-phenylmethoxycyclopentane-1,3-dicarboxamide?
The IUPAC name of 1-N-benzyl-1-phenylmethoxycyclopentane-1,3-dicarboxamide (CID 57181447) is 1-N-benzyl-1-phenylmethoxycyclopentane-1,3-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-1-phenylmethoxycyclopentane-1,3-dicarboxamide?
The canonical SMILES for 1-N-benzyl-1-phenylmethoxycyclopentane-1,3-dicarboxamide is NC(=O)C1CCC(OCc2ccccc2)(C(=O)NCc2ccccc2)C1.
What is the InChIKey of 1-N-benzyl-1-phenylmethoxycyclopentane-1,3-dicarboxamide?
The InChIKey is ZAHACMQLZGIOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c22-19(24)18-11-12-21(13-18,26-15-17-9-5-2-6-10-17)20(25)23-14-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H2,22,24)(H,23,25).
What are the key properties of 1-N-benzyl-1-phenylmethoxycyclopentane-1,3-dicarboxamide?
1-N-benzyl-1-phenylmethoxycyclopentane-1,3-dicarboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-1-phenylmethoxycyclopentane-1,3-dicarboxamide is sourced from PubChem (CID 57181447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).