N-(2-phenylethyl)-N-(quinolin-2-ylmethyl)oxolane-2-carboxamide

C23H24N2O2 — CID 42789365

IUPACN-(2-phenylethyl)-N-(quinolin-2-ylmethyl)oxolane-2-carboxamide
SMILESO=C(C1CCCO1)N(CCc1ccccc1)Cc1ccc2ccccc2n1
InChIInChI=1S/C23H24N2O2/c26-23(22-11-6-16-27-22)25(15-14-18-7-2-1-3-8-18)17-20-13-12-19-9-4-5-10-21(19)24-20/h1-5,7-10,12-13,22H,6,11,14-17H2
InChIKeyYTEFSTFTMUNSKI-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.99
Rot. Bonds6

About N-(2-phenylethyl)-N-(quinolin-2-ylmethyl)oxolane-2-carboxamide

N-(2-phenylethyl)-N-(quinolin-2-ylmethyl)oxolane-2-carboxamide (PubChem CID 42789365) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(2-phenylethyl)-N-(quinolin-2-ylmethyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-N-(quinolin-2-ylmethyl)oxolane-2-carboxamide
PubChem CID42789365
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC NameN-(2-phenylethyl)-N-(quinolin-2-ylmethyl)oxolane-2-carboxamide
SMILESO=C(C1CCCO1)N(CCc1ccccc1)Cc1ccc2ccccc2n1
InChIInChI=1S/C23H24N2O2/c26-23(22-11-6-16-27-22)25(15-14-18-7-2-1-3-8-18)17-20-13-12-19-9-4-5-10-21(19)24-20/h1-5,7-10,12-13,22H,6,11,14-17H2
InChIKeyYTEFSTFTMUNSKI-UHFFFAOYSA-N
XLogP3.99
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-N-(quinolin-2-ylmethyl)oxolane-2-carboxamide?
The IUPAC name of N-(2-phenylethyl)-N-(quinolin-2-ylmethyl)oxolane-2-carboxamide (CID 42789365) is N-(2-phenylethyl)-N-(quinolin-2-ylmethyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-N-(quinolin-2-ylmethyl)oxolane-2-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-N-(quinolin-2-ylmethyl)oxolane-2-carboxamide is O=C(C1CCCO1)N(CCc1ccccc1)Cc1ccc2ccccc2n1.
What is the InChIKey of N-(2-phenylethyl)-N-(quinolin-2-ylmethyl)oxolane-2-carboxamide?
The InChIKey is YTEFSTFTMUNSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-23(22-11-6-16-27-22)25(15-14-18-7-2-1-3-8-18)17-20-13-12-19-9-4-5-10-21(19)24-20/h1-5,7-10,12-13,22H,6,11,14-17H2.
What are the key properties of N-(2-phenylethyl)-N-(quinolin-2-ylmethyl)oxolane-2-carboxamide?
N-(2-phenylethyl)-N-(quinolin-2-ylmethyl)oxolane-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-N-(quinolin-2-ylmethyl)oxolane-2-carboxamide is sourced from PubChem (CID 42789365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).