N-[2-(dimethylamino)ethyl]-3-[4-[(5-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzamide;(Z)-3-methylpent-2-ene;(Z)-pent-2-ene;propane

C36H57N3O3 — CID 143501503

IUPACN-[2-(dimethylamino)ethyl]-3-[4-[(5-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzamide;(Z)-3-methylpent-2-ene;(Z)-pent-2-ene;propane
SMILESC/C=C(/C)CC.C/C=C\CC.CC1CN(Cc2ccc(-c3cccc(C(=O)NCCN(C)C)c3)cc2)C(=O)O1.CCC
InChIInChI=1S/C22H27N3O3.C6H12.C5H10.C3H8/c1-16-14-25(22(27)28-16)15-17-7-9-18(10-8-17)19-5-4-6-20(13-19)21(26)23-11-12-24(2)3;1-4-6(3)5-2;1-3-5-4-2;1-3-2/h4-10,13,16H,11-12,14-15H2,1-3H3,(H,23,26);4H,5H2,1-3H3;3,5H,4H2,1-2H3;3H2,1-2H3/b;6-4-;5-3-;
InChIKeyWYWIUVVCYPYJEC-URUVTCKNSA-N
MW579.87 g/mol
LogP8.74
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-3-[4-[(5-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzamide;(Z)-3-methylpent-2-ene;(Z)-pent-2-ene;propane

N-[2-(dimethylamino)ethyl]-3-[4-[(5-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzamide;(Z)-3-methylpent-2-ene;(Z)-pent-2-ene;propane (PubChem CID 143501503) has the molecular formula C36H57N3O3 and a molecular weight of 579.87 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[4-[(5-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzamide;(Z)-3-methylpent-2-ene;(Z)-pent-2-ene;propane.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[4-[(5-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzamide;(Z)-3-methylpent-2-ene;(Z)-pent-2-ene;propane
PubChem CID143501503
Molecular FormulaC36H57N3O3
Molecular Weight579.87 g/mol
Exact Mass579.44
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[4-[(5-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzamide;(Z)-3-methylpent-2-ene;(Z)-pent-2-ene;propane
SMILESC/C=C(/C)CC.C/C=C\CC.CC1CN(Cc2ccc(-c3cccc(C(=O)NCCN(C)C)c3)cc2)C(=O)O1.CCC
InChIInChI=1S/C22H27N3O3.C6H12.C5H10.C3H8/c1-16-14-25(22(27)28-16)15-17-7-9-18(10-8-17)19-5-4-6-20(13-19)21(26)23-11-12-24(2)3;1-4-6(3)5-2;1-3-5-4-2;1-3-2/h4-10,13,16H,11-12,14-15H2,1-3H3,(H,23,26);4H,5H2,1-3H3;3,5H,4H2,1-2H3;3H2,1-2H3/b;6-4-;5-3-;
InChIKeyWYWIUVVCYPYJEC-URUVTCKNSA-N
XLogP8.74
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.87
LogP ≤ 58.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[4-[(5-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzamide;(Z)-3-methylpent-2-ene;(Z)-pent-2-ene;propane?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[4-[(5-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzamide;(Z)-3-methylpent-2-ene;(Z)-pent-2-ene;propane (CID 143501503) is N-[2-(dimethylamino)ethyl]-3-[4-[(5-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzamide;(Z)-3-methylpent-2-ene;(Z)-pent-2-ene;propane.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[4-[(5-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzamide;(Z)-3-methylpent-2-ene;(Z)-pent-2-ene;propane?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[4-[(5-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzamide;(Z)-3-methylpent-2-ene;(Z)-pent-2-ene;propane is C/C=C(/C)CC.C/C=C\CC.CC1CN(Cc2ccc(-c3cccc(C(=O)NCCN(C)C)c3)cc2)C(=O)O1.CCC.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[4-[(5-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzamide;(Z)-3-methylpent-2-ene;(Z)-pent-2-ene;propane?
The InChIKey is WYWIUVVCYPYJEC-URUVTCKNSA-N. The full InChI is InChI=1S/C22H27N3O3.C6H12.C5H10.C3H8/c1-16-14-25(22(27)28-16)15-17-7-9-18(10-8-17)19-5-4-6-20(13-19)21(26)23-11-12-24(2)3;1-4-6(3)5-2;1-3-5-4-2;1-3-2/h4-10,13,16H,11-12,14-15H2,1-3H3,(H,23,26);4H,5H2,1-3H3;3,5H,4H2,1-2H3;3H2,1-2H3/b;6-4-;5-3-;.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[4-[(5-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzamide;(Z)-3-methylpent-2-ene;(Z)-pent-2-ene;propane?
N-[2-(dimethylamino)ethyl]-3-[4-[(5-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzamide;(Z)-3-methylpent-2-ene;(Z)-pent-2-ene;propane has a molecular weight of 579.87 g/mol, XLogP of 8.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[4-[(5-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]benzamide;(Z)-3-methylpent-2-ene;(Z)-pent-2-ene;propane is sourced from PubChem (CID 143501503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).