N-(4-tert-butylphenyl)oxane-2-carboxamide

C16H23NO2 — CID 110858471

IUPACN-(4-tert-butylphenyl)oxane-2-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2CCCCO2)cc1
InChIInChI=1S/C16H23NO2/c1-16(2,3)12-7-9-13(10-8-12)17-15(18)14-6-4-5-11-19-14/h7-10,14H,4-6,11H2,1-3H3,(H,17,18)
InChIKeyJZMLBCWUEHSBRJ-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.49
Rot. Bonds2

About N-(4-tert-butylphenyl)oxane-2-carboxamide

N-(4-tert-butylphenyl)oxane-2-carboxamide (PubChem CID 110858471) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)oxane-2-carboxamide
PubChem CID110858471
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-(4-tert-butylphenyl)oxane-2-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2CCCCO2)cc1
InChIInChI=1S/C16H23NO2/c1-16(2,3)12-7-9-13(10-8-12)17-15(18)14-6-4-5-11-19-14/h7-10,14H,4-6,11H2,1-3H3,(H,17,18)
InChIKeyJZMLBCWUEHSBRJ-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 1245791
N-[4-[(4-tert-butylbenzoyl)amino]-3-hydroxyphenyl]oxolane-2-carboxamide
CID 17362172
N-[4-(aminomethyl)phenyl]oxane-2-carboxamide
CID 62214191
N-[4-(ethylaminomethyl)phenyl]oxane-2-carboxamide
CID 106910070
(2S)-N-[4-[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]phenyl]oxolane-2-carboxamide
CID 37395703
N-[4-(2-hydroxyethyl)phenyl]oxane-2-carboxamide
CID 62212827
(2R)-N-[4-[[(1S,2S)-2-tert-butylcyclohexyl]carbamoylamino]phenyl]oxolane-2-carboxamide
CID 124839009
N-phenyloxolane-2-carboxamide
CID 3453643
(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide
CID 40572409
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
3-[4-(oxane-2-carbonylamino)phenyl]propanoic acid
CID 115339436

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)oxane-2-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)oxane-2-carboxamide (CID 110858471) is N-(4-tert-butylphenyl)oxane-2-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)oxane-2-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)oxane-2-carboxamide is CC(C)(C)c1ccc(NC(=O)C2CCCCO2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)oxane-2-carboxamide?
The InChIKey is JZMLBCWUEHSBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2,3)12-7-9-13(10-8-12)17-15(18)14-6-4-5-11-19-14/h7-10,14H,4-6,11H2,1-3H3,(H,17,18).
What are the key properties of N-(4-tert-butylphenyl)oxane-2-carboxamide?
N-(4-tert-butylphenyl)oxane-2-carboxamide has a molecular weight of 261.36 g/mol, XLogP of 3.49, 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)oxane-2-carboxamide is sourced from PubChem (CID 110858471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).