N-(4-propan-2-ylphenyl)-N-(4-pyridin-2-yloxyphenyl)oxolan-3-amine

C24H26N2O2 — CID 118954586

IUPACN-(4-propan-2-ylphenyl)-N-(4-pyridin-2-yloxyphenyl)oxolan-3-amine
SMILESCC(C)c1ccc(N(c2ccc(Oc3ccccn3)cc2)C2CCOC2)cc1
InChIInChI=1S/C24H26N2O2/c1-18(2)19-6-8-20(9-7-19)26(22-14-16-27-17-22)21-10-12-23(13-11-21)28-24-5-3-4-15-25-24/h3-13,15,18,22H,14,16-17H2,1-2H3
InChIKeyKJXRKVDNOLGGTH-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.92
Rot. Bonds6

About N-(4-propan-2-ylphenyl)-N-(4-pyridin-2-yloxyphenyl)oxolan-3-amine

N-(4-propan-2-ylphenyl)-N-(4-pyridin-2-yloxyphenyl)oxolan-3-amine (PubChem CID 118954586) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-N-(4-pyridin-2-yloxyphenyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-N-(4-pyridin-2-yloxyphenyl)oxolan-3-amine
PubChem CID118954586
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC NameN-(4-propan-2-ylphenyl)-N-(4-pyridin-2-yloxyphenyl)oxolan-3-amine
SMILESCC(C)c1ccc(N(c2ccc(Oc3ccccn3)cc2)C2CCOC2)cc1
InChIInChI=1S/C24H26N2O2/c1-18(2)19-6-8-20(9-7-19)26(22-14-16-27-17-22)21-10-12-23(13-11-21)28-24-5-3-4-15-25-24/h3-13,15,18,22H,14,16-17H2,1-2H3
InChIKeyKJXRKVDNOLGGTH-UHFFFAOYSA-N
XLogP5.92
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-N-(4-pyridin-2-yloxyphenyl)oxolan-3-amine?
The IUPAC name of N-(4-propan-2-ylphenyl)-N-(4-pyridin-2-yloxyphenyl)oxolan-3-amine (CID 118954586) is N-(4-propan-2-ylphenyl)-N-(4-pyridin-2-yloxyphenyl)oxolan-3-amine.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-N-(4-pyridin-2-yloxyphenyl)oxolan-3-amine?
The canonical SMILES for N-(4-propan-2-ylphenyl)-N-(4-pyridin-2-yloxyphenyl)oxolan-3-amine is CC(C)c1ccc(N(c2ccc(Oc3ccccn3)cc2)C2CCOC2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-N-(4-pyridin-2-yloxyphenyl)oxolan-3-amine?
The InChIKey is KJXRKVDNOLGGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-18(2)19-6-8-20(9-7-19)26(22-14-16-27-17-22)21-10-12-23(13-11-21)28-24-5-3-4-15-25-24/h3-13,15,18,22H,14,16-17H2,1-2H3.
What are the key properties of N-(4-propan-2-ylphenyl)-N-(4-pyridin-2-yloxyphenyl)oxolan-3-amine?
N-(4-propan-2-ylphenyl)-N-(4-pyridin-2-yloxyphenyl)oxolan-3-amine has a molecular weight of 374.48 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-N-(4-pyridin-2-yloxyphenyl)oxolan-3-amine is sourced from PubChem (CID 118954586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).