(4-phenylphenyl)methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate

C18H17NO4 — CID 73291988

IUPAC(4-phenylphenyl)methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate
SMILESC[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H17NO4/c1-12-16(17(20)23-12)19-18(21)22-11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,19,21)/t12-,16+/m0/s1
InChIKeyMFQATLPMLVIJGV-BLLLJJGKSA-N
MW311.34 g/mol
LogP2.89
Rot. Bonds4

About (4-phenylphenyl)methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate

(4-phenylphenyl)methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate (PubChem CID 73291988) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is (4-phenylphenyl)methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate.

Molecular Properties

Compound Name(4-phenylphenyl)methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate
PubChem CID73291988
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name(4-phenylphenyl)methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate
SMILESC[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H17NO4/c1-12-16(17(20)23-12)19-18(21)22-11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,19,21)/t12-,16+/m0/s1
InChIKeyMFQATLPMLVIJGV-BLLLJJGKSA-N
XLogP2.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate?
The IUPAC name of (4-phenylphenyl)methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate (CID 73291988) is (4-phenylphenyl)methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate.
What is the SMILES notation for (4-phenylphenyl)methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate?
The canonical SMILES for (4-phenylphenyl)methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate is C[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-phenylphenyl)methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate?
The InChIKey is MFQATLPMLVIJGV-BLLLJJGKSA-N. The full InChI is InChI=1S/C18H17NO4/c1-12-16(17(20)23-12)19-18(21)22-11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,19,21)/t12-,16+/m0/s1.
What are the key properties of (4-phenylphenyl)methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate?
(4-phenylphenyl)methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate has a molecular weight of 311.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)methyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate is sourced from PubChem (CID 73291988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).