N-[4-(dimethylamino)-3-methylphenyl]-4-(4-fluorophenyl)oxane-4-carboxamide

C21H25FN2O2 — CID 60582638

IUPACN-[4-(dimethylamino)-3-methylphenyl]-4-(4-fluorophenyl)oxane-4-carboxamide
SMILESCc1cc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)ccc1N(C)C
InChIInChI=1S/C21H25FN2O2/c1-15-14-18(8-9-19(15)24(2)3)23-20(25)21(10-12-26-13-11-21)16-4-6-17(22)7-5-16/h4-9,14H,10-13H2,1-3H3,(H,23,25)
InChIKeyWMGBURVEUQDXBR-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.89
Rot. Bonds4

About N-[4-(dimethylamino)-3-methylphenyl]-4-(4-fluorophenyl)oxane-4-carboxamide

N-[4-(dimethylamino)-3-methylphenyl]-4-(4-fluorophenyl)oxane-4-carboxamide (PubChem CID 60582638) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3-methylphenyl]-4-(4-fluorophenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3-methylphenyl]-4-(4-fluorophenyl)oxane-4-carboxamide
PubChem CID60582638
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-[4-(dimethylamino)-3-methylphenyl]-4-(4-fluorophenyl)oxane-4-carboxamide
SMILESCc1cc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)ccc1N(C)C
InChIInChI=1S/C21H25FN2O2/c1-15-14-18(8-9-19(15)24(2)3)23-20(25)21(10-12-26-13-11-21)16-4-6-17(22)7-5-16/h4-9,14H,10-13H2,1-3H3,(H,23,25)
InChIKeyWMGBURVEUQDXBR-UHFFFAOYSA-N
XLogP3.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.89
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-butoxy-3,5-dimethylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 100683972
N-(4-carbamoylphenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 27456693
N-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-4-(4-fluorophenyl)oxane-4-carboxamide
CID 100683990
N-[4-(dimethylamino)-3-methylphenyl]-1-methylcyclopropane-1-carboxamide
CID 117059853
4-(4-fluorophenyl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]oxane-4-carboxamide
CID 49422466
4-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)oxane-4-carboxamide
CID 27456641
N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide
CID 94637576
ethyl 5-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]-2-propoxybenzoate
CID 100749097
2-methoxyethyl N-[3-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]phenyl]carbamate
CID 47741212
4-(3-fluorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 60582725
N-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 60582532
N-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 1289148

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3-methylphenyl]-4-(4-fluorophenyl)oxane-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-3-methylphenyl]-4-(4-fluorophenyl)oxane-4-carboxamide (CID 60582638) is N-[4-(dimethylamino)-3-methylphenyl]-4-(4-fluorophenyl)oxane-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-3-methylphenyl]-4-(4-fluorophenyl)oxane-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-3-methylphenyl]-4-(4-fluorophenyl)oxane-4-carboxamide is Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)ccc1N(C)C.
What is the InChIKey of N-[4-(dimethylamino)-3-methylphenyl]-4-(4-fluorophenyl)oxane-4-carboxamide?
The InChIKey is WMGBURVEUQDXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-15-14-18(8-9-19(15)24(2)3)23-20(25)21(10-12-26-13-11-21)16-4-6-17(22)7-5-16/h4-9,14H,10-13H2,1-3H3,(H,23,25).
What are the key properties of N-[4-(dimethylamino)-3-methylphenyl]-4-(4-fluorophenyl)oxane-4-carboxamide?
N-[4-(dimethylamino)-3-methylphenyl]-4-(4-fluorophenyl)oxane-4-carboxamide has a molecular weight of 356.44 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-3-methylphenyl]-4-(4-fluorophenyl)oxane-4-carboxamide is sourced from PubChem (CID 60582638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).