3-phenylmethoxycyclopentane-1,1-dicarboxamide

C14H18N2O3 — CID 67632518

IUPAC3-phenylmethoxycyclopentane-1,1-dicarboxamide
SMILESNC(=O)C1(C(N)=O)CCC(OCc2ccccc2)C1
InChIInChI=1S/C14H18N2O3/c15-12(17)14(13(16)18)7-6-11(8-14)19-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,15,17)(H2,16,18)
InChIKeyIUKFUYVDAGAYDE-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.71
Rot. Bonds5

About 3-phenylmethoxycyclopentane-1,1-dicarboxamide

3-phenylmethoxycyclopentane-1,1-dicarboxamide (PubChem CID 67632518) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-phenylmethoxycyclopentane-1,1-dicarboxamide.

Molecular Properties

Compound Name3-phenylmethoxycyclopentane-1,1-dicarboxamide
PubChem CID67632518
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-phenylmethoxycyclopentane-1,1-dicarboxamide
SMILESNC(=O)C1(C(N)=O)CCC(OCc2ccccc2)C1
InChIInChI=1S/C14H18N2O3/c15-12(17)14(13(16)18)7-6-11(8-14)19-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,15,17)(H2,16,18)
InChIKeyIUKFUYVDAGAYDE-UHFFFAOYSA-N
XLogP0.71
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxycyclopentane-1,1-dicarboxamide?
The IUPAC name of 3-phenylmethoxycyclopentane-1,1-dicarboxamide (CID 67632518) is 3-phenylmethoxycyclopentane-1,1-dicarboxamide.
What is the SMILES notation for 3-phenylmethoxycyclopentane-1,1-dicarboxamide?
The canonical SMILES for 3-phenylmethoxycyclopentane-1,1-dicarboxamide is NC(=O)C1(C(N)=O)CCC(OCc2ccccc2)C1.
What is the InChIKey of 3-phenylmethoxycyclopentane-1,1-dicarboxamide?
The InChIKey is IUKFUYVDAGAYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-12(17)14(13(16)18)7-6-11(8-14)19-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,15,17)(H2,16,18).
What are the key properties of 3-phenylmethoxycyclopentane-1,1-dicarboxamide?
3-phenylmethoxycyclopentane-1,1-dicarboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxycyclopentane-1,1-dicarboxamide is sourced from PubChem (CID 67632518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).