N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide

C19H22N2O2 — CID 112986386

IUPACN-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide
SMILESCc1cc(C)cc(Nc2ccc(NC(=O)C3CCCO3)cc2)c1
InChIInChI=1S/C19H22N2O2/c1-13-10-14(2)12-17(11-13)20-15-5-7-16(8-6-15)21-19(22)18-4-3-9-23-18/h5-8,10-12,18,20H,3-4,9H2,1-2H3,(H,21,22)
InChIKeyHWDAZBDFLDIOPR-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.16
Rot. Bonds4

About N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide

N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide (PubChem CID 112986386) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide
PubChem CID112986386
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide
SMILESCc1cc(C)cc(Nc2ccc(NC(=O)C3CCCO3)cc2)c1
InChIInChI=1S/C19H22N2O2/c1-13-10-14(2)12-17(11-13)20-15-5-7-16(8-6-15)21-19(22)18-4-3-9-23-18/h5-8,10-12,18,20H,3-4,9H2,1-2H3,(H,21,22)
InChIKeyHWDAZBDFLDIOPR-UHFFFAOYSA-N
XLogP4.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide
CID 7923565
N-[4-(3,4-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986357
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010
N-[4-(4-bromo-2-methylanilino)phenyl]oxolane-2-carboxamide
CID 112989098
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
(2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide
CID 103582033
N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide
CID 119711447
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
N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide
CID 114310850
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide (CID 112986386) is N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide is Cc1cc(C)cc(Nc2ccc(NC(=O)C3CCCO3)cc2)c1.
What is the InChIKey of N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide?
The InChIKey is HWDAZBDFLDIOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13-10-14(2)12-17(11-13)20-15-5-7-16(8-6-15)21-19(22)18-4-3-9-23-18/h5-8,10-12,18,20H,3-4,9H2,1-2H3,(H,21,22).
What are the key properties of N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide?
N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 112986386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).