3-phenylmethoxycyclobutane-1,1-dicarboxamide

C13H16N2O3 — CID 10705686

IUPAC3-phenylmethoxycyclobutane-1,1-dicarboxamide
SMILESNC(=O)C1(C(N)=O)CC(OCc2ccccc2)C1
InChIInChI=1S/C13H16N2O3/c14-11(16)13(12(15)17)6-10(7-13)18-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H2,15,17)
InChIKeyRLKAHNDWHNMWOZ-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.32
Rot. Bonds5

About 3-phenylmethoxycyclobutane-1,1-dicarboxamide

3-phenylmethoxycyclobutane-1,1-dicarboxamide (PubChem CID 10705686) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-phenylmethoxycyclobutane-1,1-dicarboxamide.

Molecular Properties

Compound Name3-phenylmethoxycyclobutane-1,1-dicarboxamide
PubChem CID10705686
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-phenylmethoxycyclobutane-1,1-dicarboxamide
SMILESNC(=O)C1(C(N)=O)CC(OCc2ccccc2)C1
InChIInChI=1S/C13H16N2O3/c14-11(16)13(12(15)17)6-10(7-13)18-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H2,15,17)
InChIKeyRLKAHNDWHNMWOZ-UHFFFAOYSA-N
XLogP0.32
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.32
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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Related Compounds

(4R,5E)-N-hydroxy-4-phenylmethoxyocta-5,7-dienamide
CID 11118838
(4S,5E,7E)-N-hydroxy-4-phenylmethoxydeca-5,7-dienamide
CID 10880771
3-Benzyloxy-valeramide
CID 53427505
6-Phenylmethoxyhexanamide
CID 11564808
7-Phenylmethoxyheptanamide
CID 12173401
2-(2-Phenylmethoxyethyl)propanediamide
CID 15186005
Ethyl 1-carbamoyl-3-phenylmethoxycyclobutane-1-carboxylate
CID 18706838
Benzyl 4-amino-2-ethyl-2-methyl-4-oxobutanoate
CID 57270679
4-Phenylmethoxybutanamide
CID 57960292
2-(2-Aminoethyl)-2-(2-phenylmethoxyethyl)propanediamide
CID 66835620
3-Phenylmethoxycyclopentane-1,1-dicarboxamide
CID 67632518
5-Phenylmethoxypentanamide
CID 68560550

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxycyclobutane-1,1-dicarboxamide?
The IUPAC name of 3-phenylmethoxycyclobutane-1,1-dicarboxamide (CID 10705686) is 3-phenylmethoxycyclobutane-1,1-dicarboxamide.
What is the SMILES notation for 3-phenylmethoxycyclobutane-1,1-dicarboxamide?
The canonical SMILES for 3-phenylmethoxycyclobutane-1,1-dicarboxamide is NC(=O)C1(C(N)=O)CC(OCc2ccccc2)C1.
What is the InChIKey of 3-phenylmethoxycyclobutane-1,1-dicarboxamide?
The InChIKey is RLKAHNDWHNMWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c14-11(16)13(12(15)17)6-10(7-13)18-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H2,15,17).
What are the key properties of 3-phenylmethoxycyclobutane-1,1-dicarboxamide?
3-phenylmethoxycyclobutane-1,1-dicarboxamide has a molecular weight of 248.28 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxycyclobutane-1,1-dicarboxamide is sourced from PubChem (CID 10705686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).