(2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate

C19H19NO3 — CID 27097179

IUPAC(2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2)CCC1)Nc1ccccc1
InChIInChI=1S/C19H19NO3/c21-17(20-16-10-5-2-6-11-16)14-23-18(22)19(12-7-13-19)15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2,(H,20,21)
InChIKeyHCPXEQSATSDFEU-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.29
Rot. Bonds5

About (2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate

(2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate (PubChem CID 27097179) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate
PubChem CID27097179
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2)CCC1)Nc1ccccc1
InChIInChI=1S/C19H19NO3/c21-17(20-16-10-5-2-6-11-16)14-23-18(22)19(12-7-13-19)15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2,(H,20,21)
InChIKeyHCPXEQSATSDFEU-UHFFFAOYSA-N
XLogP3.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866420
[2-(4-chloroanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8588474
[2-(4-acetylanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8588587
[2-(4-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8587986
(2-anilino-2-oxoethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 2352376
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-phenylcyclopropane-1-carboxylate
CID 8587838
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8611557
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8951289
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate
CID 27097419
[2-(2,6-diethylanilino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8611306
[2-(3-fluoroanilino)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2387321
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8807699

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate?
The IUPAC name of (2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate (CID 27097179) is (2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate?
The canonical SMILES for (2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate is O=C(COC(=O)C1(c2ccccc2)CCC1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate?
The InChIKey is HCPXEQSATSDFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c21-17(20-16-10-5-2-6-11-16)14-23-18(22)19(12-7-13-19)15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2,(H,20,21).
What are the key properties of (2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate?
(2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate is sourced from PubChem (CID 27097179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).