N-[2-(4-propan-2-ylphenyl)-2-pyridin-2-ylethyl]oxolane-2-carboxamide

C21H26N2O2 — CID 110362967

IUPACN-[2-(4-propan-2-ylphenyl)-2-pyridin-2-ylethyl]oxolane-2-carboxamide
SMILESCC(C)c1ccc(C(CNC(=O)C2CCCO2)c2ccccn2)cc1
InChIInChI=1S/C21H26N2O2/c1-15(2)16-8-10-17(11-9-16)18(19-6-3-4-12-22-19)14-23-21(24)20-7-5-13-25-20/h3-4,6,8-12,15,18,20H,5,7,13-14H2,1-2H3,(H,23,24)
InChIKeyODBIVWUIEIIAEM-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.63
Rot. Bonds6

About N-[2-(4-propan-2-ylphenyl)-2-pyridin-2-ylethyl]oxolane-2-carboxamide

N-[2-(4-propan-2-ylphenyl)-2-pyridin-2-ylethyl]oxolane-2-carboxamide (PubChem CID 110362967) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[2-(4-propan-2-ylphenyl)-2-pyridin-2-ylethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-propan-2-ylphenyl)-2-pyridin-2-ylethyl]oxolane-2-carboxamide
PubChem CID110362967
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[2-(4-propan-2-ylphenyl)-2-pyridin-2-ylethyl]oxolane-2-carboxamide
SMILESCC(C)c1ccc(C(CNC(=O)C2CCCO2)c2ccccn2)cc1
InChIInChI=1S/C21H26N2O2/c1-15(2)16-8-10-17(11-9-16)18(19-6-3-4-12-22-19)14-23-21(24)20-7-5-13-25-20/h3-4,6,8-12,15,18,20H,5,7,13-14H2,1-2H3,(H,23,24)
InChIKeyODBIVWUIEIIAEM-UHFFFAOYSA-N
XLogP3.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]oxolane-2-carboxamide
CID 110362898
(2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]oxolane-2-carboxamide
CID 96504930
N-(2-phenylbutyl)oxolane-2-carboxamide
CID 78800794
(2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide
CID 896917
N-(3-phenylbutyl)oxolane-2-carboxamide
CID 110357557
N-(2-hydroxy-2-naphthalen-2-ylethyl)oxolane-2-carboxamide
CID 111112177
(2S)-N-[(2S)-2-[[(2R)-oxolane-2-carbonyl]amino]-3-phenylpropyl]oxolane-2-carboxamide
CID 100849813
3-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]-1,1-dimethylurea
CID 110362940
2-methyl-3-(oxolane-2-carbonylamino)propanoic acid
CID 53211445
2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid
CID 104855649
N-[(2R)-2-hydroxypropyl]oxolane-2-carboxamide
CID 83031393
N-(2-hydroxypropyl)oxolane-2-carboxamide
CID 43392747

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-propan-2-ylphenyl)-2-pyridin-2-ylethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(4-propan-2-ylphenyl)-2-pyridin-2-ylethyl]oxolane-2-carboxamide (CID 110362967) is N-[2-(4-propan-2-ylphenyl)-2-pyridin-2-ylethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(4-propan-2-ylphenyl)-2-pyridin-2-ylethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(4-propan-2-ylphenyl)-2-pyridin-2-ylethyl]oxolane-2-carboxamide is CC(C)c1ccc(C(CNC(=O)C2CCCO2)c2ccccn2)cc1.
What is the InChIKey of N-[2-(4-propan-2-ylphenyl)-2-pyridin-2-ylethyl]oxolane-2-carboxamide?
The InChIKey is ODBIVWUIEIIAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15(2)16-8-10-17(11-9-16)18(19-6-3-4-12-22-19)14-23-21(24)20-7-5-13-25-20/h3-4,6,8-12,15,18,20H,5,7,13-14H2,1-2H3,(H,23,24).
What are the key properties of N-[2-(4-propan-2-ylphenyl)-2-pyridin-2-ylethyl]oxolane-2-carboxamide?
N-[2-(4-propan-2-ylphenyl)-2-pyridin-2-ylethyl]oxolane-2-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-propan-2-ylphenyl)-2-pyridin-2-ylethyl]oxolane-2-carboxamide is sourced from PubChem (CID 110362967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).