(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide

C13H18N2O2 — CID 40572409

IUPAC(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)[C@@H]2CCCO2)cc1
InChIInChI=1S/C13H18N2O2/c1-15(2)11-7-5-10(6-8-11)14-13(16)12-4-3-9-17-12/h5-8,12H,3-4,9H2,1-2H3,(H,14,16)/t12-/m0/s1
InChIKeyQLWHDUZKYUJPGF-LBPRGKRZSA-N
MW234.30 g/mol
LogP1.87
Rot. Bonds3

About (2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide

(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide (PubChem CID 40572409) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide
PubChem CID40572409
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)[C@@H]2CCCO2)cc1
InChIInChI=1S/C13H18N2O2/c1-15(2)11-7-5-10(6-8-11)14-13(16)12-4-3-9-17-12/h5-8,12H,3-4,9H2,1-2H3,(H,14,16)/t12-/m0/s1
InChIKeyQLWHDUZKYUJPGF-LBPRGKRZSA-N
XLogP1.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[benzyl(methyl)amino]phenyl]oxolane-2-carboxamide
CID 112982284
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
N-phenyloxolane-2-carboxamide
CID 3453643
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
(2S)-N-[3-[[4-(dimethylamino)phenyl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 35745859
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010
N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986386
N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide
CID 119711447
N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 108542472
(2R,5S)-5-[[4-(dimethylamino)phenyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944542
(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 1245791
N-(4-benzoylphenyl)oxolane-2-carboxamide
CID 11839657

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide (CID 40572409) is (2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide is CN(C)c1ccc(NC(=O)[C@@H]2CCCO2)cc1.
What is the InChIKey of (2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide?
The InChIKey is QLWHDUZKYUJPGF-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(2)11-7-5-10(6-8-11)14-13(16)12-4-3-9-17-12/h5-8,12H,3-4,9H2,1-2H3,(H,14,16)/t12-/m0/s1.
What are the key properties of (2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide?
(2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(dimethylamino)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 40572409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).