N-(4-tert-butylphenyl)oxolane-3-carboxamide

C15H21NO2 — CID 47443367

IUPACN-(4-tert-butylphenyl)oxolane-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2CCOC2)cc1
InChIInChI=1S/C15H21NO2/c1-15(2,3)12-4-6-13(7-5-12)16-14(17)11-8-9-18-10-11/h4-7,11H,8-10H2,1-3H3,(H,16,17)
InChIKeyFGQHWPXSOCFBPC-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.96
Rot. Bonds2

About N-(4-tert-butylphenyl)oxolane-3-carboxamide

N-(4-tert-butylphenyl)oxolane-3-carboxamide (PubChem CID 47443367) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)oxolane-3-carboxamide
PubChem CID47443367
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(4-tert-butylphenyl)oxolane-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2CCOC2)cc1
InChIInChI=1S/C15H21NO2/c1-15(2,3)12-4-6-13(7-5-12)16-14(17)11-8-9-18-10-11/h4-7,11H,8-10H2,1-3H3,(H,16,17)
InChIKeyFGQHWPXSOCFBPC-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1-amino-2-methylpropan-2-yl)phenyl]oxane-3-carboxamide
CID 63010280
N-(4-ethynylphenyl)oxolane-3-carboxamide
CID 165452095
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-[2-(4-tert-butylanilino)-2-oxoethyl]oxane-4-carboxamide
CID 112997593
N-(3,5-dimethylphenyl)oxolane-3-carboxamide
CID 47443287
(3R)-N-[(S)-(4-tert-butylphenyl)-cyanomethyl]oxolane-3-carboxamide
CID 95617394
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
N-(3-acetylphenyl)oxolane-3-carboxamide
CID 61276696
N-(1,3-benzodioxol-5-yl)oxolane-3-carboxamide
CID 110863146
N-[4-(2-hydroxypropan-2-yl)phenyl]cyclopropanecarboxamide
CID 167978229
N-(4-tert-butylphenyl)oxane-2-carboxamide
CID 110858471
N-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]oxolane-3-carboxamide
CID 87050807

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)oxolane-3-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)oxolane-3-carboxamide (CID 47443367) is N-(4-tert-butylphenyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)oxolane-3-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)oxolane-3-carboxamide is CC(C)(C)c1ccc(NC(=O)C2CCOC2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)oxolane-3-carboxamide?
The InChIKey is FGQHWPXSOCFBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2,3)12-4-6-13(7-5-12)16-14(17)11-8-9-18-10-11/h4-7,11H,8-10H2,1-3H3,(H,16,17).
What are the key properties of N-(4-tert-butylphenyl)oxolane-3-carboxamide?
N-(4-tert-butylphenyl)oxolane-3-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 47443367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).