1'-(N-methylanilino)-4',4'-diphenylspiro[2,3-dihydrochromene-4,2'-azetidine]-3'-one

C30H26N2O2 — CID 23934972

IUPAC1'-(N-methylanilino)-4',4'-diphenylspiro[2,3-dihydrochromene-4,2'-azetidine]-3'-one
SMILESCN(c1ccccc1)N1C2(CCOc3ccccc32)C(=O)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H26N2O2/c1-31(25-17-9-4-10-18-25)32-29(21-22-34-27-20-12-11-19-26(27)29)28(33)30(32,23-13-5-2-6-14-23)24-15-7-3-8-16-24/h2-20H,21-22H2,1H3
InChIKeySKOPWOXHPAWFFZ-UHFFFAOYSA-N
MW446.55 g/mol
LogP5.54
Rot. Bonds4

About 1'-(N-methylanilino)-4',4'-diphenylspiro[2,3-dihydrochromene-4,2'-azetidine]-3'-one

1'-(N-methylanilino)-4',4'-diphenylspiro[2,3-dihydrochromene-4,2'-azetidine]-3'-one (PubChem CID 23934972) has the molecular formula C30H26N2O2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 1'-(N-methylanilino)-4',4'-diphenylspiro[2,3-dihydrochromene-4,2'-azetidine]-3'-one.

Molecular Properties

Compound Name1'-(N-methylanilino)-4',4'-diphenylspiro[2,3-dihydrochromene-4,2'-azetidine]-3'-one
PubChem CID23934972
Molecular FormulaC30H26N2O2
Molecular Weight446.55 g/mol
Exact Mass446.20
IUPAC Name1'-(N-methylanilino)-4',4'-diphenylspiro[2,3-dihydrochromene-4,2'-azetidine]-3'-one
SMILESCN(c1ccccc1)N1C2(CCOc3ccccc32)C(=O)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H26N2O2/c1-31(25-17-9-4-10-18-25)32-29(21-22-34-27-20-12-11-19-26(27)29)28(33)30(32,23-13-5-2-6-14-23)24-15-7-3-8-16-24/h2-20H,21-22H2,1H3
InChIKeySKOPWOXHPAWFFZ-UHFFFAOYSA-N
XLogP5.54
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(N-methylanilino)-4',4'-diphenylspiro[2,3-dihydrochromene-4,2'-azetidine]-3'-one?
The IUPAC name of 1'-(N-methylanilino)-4',4'-diphenylspiro[2,3-dihydrochromene-4,2'-azetidine]-3'-one (CID 23934972) is 1'-(N-methylanilino)-4',4'-diphenylspiro[2,3-dihydrochromene-4,2'-azetidine]-3'-one.
What is the SMILES notation for 1'-(N-methylanilino)-4',4'-diphenylspiro[2,3-dihydrochromene-4,2'-azetidine]-3'-one?
The canonical SMILES for 1'-(N-methylanilino)-4',4'-diphenylspiro[2,3-dihydrochromene-4,2'-azetidine]-3'-one is CN(c1ccccc1)N1C2(CCOc3ccccc32)C(=O)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 1'-(N-methylanilino)-4',4'-diphenylspiro[2,3-dihydrochromene-4,2'-azetidine]-3'-one?
The InChIKey is SKOPWOXHPAWFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O2/c1-31(25-17-9-4-10-18-25)32-29(21-22-34-27-20-12-11-19-26(27)29)28(33)30(32,23-13-5-2-6-14-23)24-15-7-3-8-16-24/h2-20H,21-22H2,1H3.
What are the key properties of 1'-(N-methylanilino)-4',4'-diphenylspiro[2,3-dihydrochromene-4,2'-azetidine]-3'-one?
1'-(N-methylanilino)-4',4'-diphenylspiro[2,3-dihydrochromene-4,2'-azetidine]-3'-one has a molecular weight of 446.55 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(N-methylanilino)-4',4'-diphenylspiro[2,3-dihydrochromene-4,2'-azetidine]-3'-one is sourced from PubChem (CID 23934972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).