ethane;1-(4-methylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]cyclopropane-1-carboxamide

C25H34N2O3 — CID 143597451

IUPACethane;1-(4-methylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]cyclopropane-1-carboxamide
SMILESCC.Cc1ccc(C2(C(=O)Nc3ccc(N4OC(C)(C)C(C)(C)O4)cc3)CC2)cc1
InChIInChI=1S/C23H28N2O3.C2H6/c1-16-6-8-17(9-7-16)23(14-15-23)20(26)24-18-10-12-19(13-11-18)25-27-21(2,3)22(4,5)28-25;1-2/h6-13H,14-15H2,1-5H3,(H,24,26);1-2H3
InChIKeyIQLSVUSJBYBIKK-UHFFFAOYSA-N
MW410.56 g/mol
LogP5.93
Rot. Bonds4

About ethane;1-(4-methylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]cyclopropane-1-carboxamide

ethane;1-(4-methylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 143597451) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is ethane;1-(4-methylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nameethane;1-(4-methylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID143597451
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Nameethane;1-(4-methylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]cyclopropane-1-carboxamide
SMILESCC.Cc1ccc(C2(C(=O)Nc3ccc(N4OC(C)(C)C(C)(C)O4)cc3)CC2)cc1
InChIInChI=1S/C23H28N2O3.C2H6/c1-16-6-8-17(9-7-16)23(14-15-23)20(26)24-18-10-12-19(13-11-18)25-27-21(2,3)22(4,5)28-25;1-2/h6-13H,14-15H2,1-5H3,(H,24,26);1-2H3
InChIKeyIQLSVUSJBYBIKK-UHFFFAOYSA-N
XLogP5.93
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;1-(4-methylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

1-(4-methylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]cyclopropane-1-carboxamide
CID 143597452
N-(4-bromophenyl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198290
1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 31778353
1-(4-methylphenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 113198278
1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopropane-1-carboxamide
CID 100782348
N-[4-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]phenyl]thiophene-2-carboxamide
CID 25239450
2-methyl-3-[4-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]phenyl]propanoic acid
CID 120541500
1-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)cyclopentane-1-carboxamide
CID 100781422
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide
CID 99082650
4-(4-methylphenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide
CID 100681565
1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 99706799
N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylphenyl)cyclopentane-1-carboxamide
CID 100662222

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of ethane;1-(4-methylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]cyclopropane-1-carboxamide (CID 143597451) is ethane;1-(4-methylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for ethane;1-(4-methylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for ethane;1-(4-methylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]cyclopropane-1-carboxamide is CC.Cc1ccc(C2(C(=O)Nc3ccc(N4OC(C)(C)C(C)(C)O4)cc3)CC2)cc1.
What is the InChIKey of ethane;1-(4-methylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is IQLSVUSJBYBIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3.C2H6/c1-16-6-8-17(9-7-16)23(14-15-23)20(26)24-18-10-12-19(13-11-18)25-27-21(2,3)22(4,5)28-25;1-2/h6-13H,14-15H2,1-5H3,(H,24,26);1-2H3.
What are the key properties of ethane;1-(4-methylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]cyclopropane-1-carboxamide?
ethane;1-(4-methylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxazolidin-2-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 143597451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).