N-[4-(2,6-dimethylanilino)phenyl]oxane-4-carboxamide

C20H24N2O2 — CID 112986425

IUPACN-[4-(2,6-dimethylanilino)phenyl]oxane-4-carboxamide
SMILESCc1cccc(C)c1Nc1ccc(NC(=O)C2CCOCC2)cc1
InChIInChI=1S/C20H24N2O2/c1-14-4-3-5-15(2)19(14)21-17-6-8-18(9-7-17)22-20(23)16-10-12-24-13-11-16/h3-9,16,21H,10-13H2,1-2H3,(H,22,23)
InChIKeyBOMDYMNIJAAAKF-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.41
Rot. Bonds4

About N-[4-(2,6-dimethylanilino)phenyl]oxane-4-carboxamide

N-[4-(2,6-dimethylanilino)phenyl]oxane-4-carboxamide (PubChem CID 112986425) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[4-(2,6-dimethylanilino)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylanilino)phenyl]oxane-4-carboxamide
PubChem CID112986425
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[4-(2,6-dimethylanilino)phenyl]oxane-4-carboxamide
SMILESCc1cccc(C)c1Nc1ccc(NC(=O)C2CCOCC2)cc1
InChIInChI=1S/C20H24N2O2/c1-14-4-3-5-15(2)19(14)21-17-6-8-18(9-7-17)22-20(23)16-10-12-24-13-11-16/h3-9,16,21H,10-13H2,1-2H3,(H,22,23)
InChIKeyBOMDYMNIJAAAKF-UHFFFAOYSA-N
XLogP4.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(2,6-dimethylanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113017207
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-(2,3-dimethylphenyl)oxane-4-carboxamide
CID 31962553
4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150290
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]oxane-4-carboxamide
CID 112990399
N-(3-iodo-4-methylphenyl)oxane-4-carboxamide
CID 31969171
N-[4-(2,3-dimethylanilino)phenyl]cyclobutanecarboxamide
CID 112986454
N-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113032282
N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113032358
N-[3-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide
CID 51337572
N-[4-(diethylamino)phenyl]oxane-4-carboxamide
CID 51188941
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylanilino)phenyl]oxane-4-carboxamide?
The IUPAC name of N-[4-(2,6-dimethylanilino)phenyl]oxane-4-carboxamide (CID 112986425) is N-[4-(2,6-dimethylanilino)phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[4-(2,6-dimethylanilino)phenyl]oxane-4-carboxamide?
The canonical SMILES for N-[4-(2,6-dimethylanilino)phenyl]oxane-4-carboxamide is Cc1cccc(C)c1Nc1ccc(NC(=O)C2CCOCC2)cc1.
What is the InChIKey of N-[4-(2,6-dimethylanilino)phenyl]oxane-4-carboxamide?
The InChIKey is BOMDYMNIJAAAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-4-3-5-15(2)19(14)21-17-6-8-18(9-7-17)22-20(23)16-10-12-24-13-11-16/h3-9,16,21H,10-13H2,1-2H3,(H,22,23).
What are the key properties of N-[4-(2,6-dimethylanilino)phenyl]oxane-4-carboxamide?
N-[4-(2,6-dimethylanilino)phenyl]oxane-4-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylanilino)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 112986425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).