ethyl 1-carbamoyl-3-phenylmethoxycyclobutane-1-carboxylate

C15H19NO4 — CID 18706838

IUPACethyl 1-carbamoyl-3-phenylmethoxycyclobutane-1-carboxylate
SMILESCCOC(=O)C1(C(N)=O)CC(OCc2ccccc2)C1
InChIInChI=1S/C15H19NO4/c1-2-19-14(18)15(13(16)17)8-12(9-15)20-10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H2,16,17)
InChIKeyJWBWTNSOCSKAQO-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.40
Rot. Bonds6

About ethyl 1-carbamoyl-3-phenylmethoxycyclobutane-1-carboxylate

ethyl 1-carbamoyl-3-phenylmethoxycyclobutane-1-carboxylate (PubChem CID 18706838) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 1-carbamoyl-3-phenylmethoxycyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-carbamoyl-3-phenylmethoxycyclobutane-1-carboxylate
PubChem CID18706838
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nameethyl 1-carbamoyl-3-phenylmethoxycyclobutane-1-carboxylate
SMILESCCOC(=O)C1(C(N)=O)CC(OCc2ccccc2)C1
InChIInChI=1S/C15H19NO4/c1-2-19-14(18)15(13(16)17)8-12(9-15)20-10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H2,16,17)
InChIKeyJWBWTNSOCSKAQO-UHFFFAOYSA-N
XLogP1.40
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 ethyl 1-carbamoyl-3-phenylmethoxycyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-carbamoyl-3-phenylmethoxycyclobutane-1-carboxylate (CID 18706838) is ethyl 1-carbamoyl-3-phenylmethoxycyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-carbamoyl-3-phenylmethoxycyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-carbamoyl-3-phenylmethoxycyclobutane-1-carboxylate is CCOC(=O)C1(C(N)=O)CC(OCc2ccccc2)C1.
What is the InChIKey of ethyl 1-carbamoyl-3-phenylmethoxycyclobutane-1-carboxylate?
The InChIKey is JWBWTNSOCSKAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-19-14(18)15(13(16)17)8-12(9-15)20-10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H2,16,17).
What are the key properties of ethyl 1-carbamoyl-3-phenylmethoxycyclobutane-1-carboxylate?
ethyl 1-carbamoyl-3-phenylmethoxycyclobutane-1-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-carbamoyl-3-phenylmethoxycyclobutane-1-carboxylate is sourced from PubChem (CID 18706838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).