(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide

C15H21NO2 — CID 8779725

IUPAC(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)[C@@H]2CCCO2)cc1
InChIInChI=1S/C15H21NO2/c1-15(2,3)11-6-8-12(9-7-11)16-14(17)13-5-4-10-18-13/h6-9,13H,4-5,10H2,1-3H3,(H,16,17)/t13-/m0/s1
InChIKeyCMBLIKFLBXYIIX-ZDUSSCGKSA-N
MW247.34 g/mol
LogP3.10
Rot. Bonds2

About (2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide

(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide (PubChem CID 8779725) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
PubChem CID8779725
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)[C@@H]2CCCO2)cc1
InChIInChI=1S/C15H21NO2/c1-15(2,3)11-6-8-12(9-7-11)16-14(17)13-5-4-10-18-13/h6-9,13H,4-5,10H2,1-3H3,(H,16,17)/t13-/m0/s1
InChIKeyCMBLIKFLBXYIIX-ZDUSSCGKSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butylphenyl)oxane-2-carboxamide
CID 110858471
(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 1245791
N-[4-[(4-tert-butylbenzoyl)amino]-3-hydroxyphenyl]oxolane-2-carboxamide
CID 17362172
(2S)-N-[4-[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]phenyl]oxolane-2-carboxamide
CID 37395703
N-phenyloxolane-2-carboxamide
CID 3453643
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide
CID 40572409
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010
N-(3-tert-butyl-4-methoxyphenyl)oxolane-2-carboxamide
CID 110776693
N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986386
N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide
CID 119711447
(2R)-N-[4-[[(1S,2S)-2-tert-butylcyclohexyl]carbamoylamino]phenyl]oxolane-2-carboxamide
CID 124839009

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide (CID 8779725) is (2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide is CC(C)(C)c1ccc(NC(=O)[C@@H]2CCCO2)cc1.
What is the InChIKey of (2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide?
The InChIKey is CMBLIKFLBXYIIX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2,3)11-6-8-12(9-7-11)16-14(17)13-5-4-10-18-13/h6-9,13H,4-5,10H2,1-3H3,(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide?
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 8779725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).