N-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide

C29H33N3O3 — CID 70838011

IUPACN-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide
SMILESCCN(CCN(C)C)C(=O)c1ccc(-c2ccc(CN3C[C@@H](c4ccccc4)OC3=O)cc2)cc1
InChIInChI=1S/C29H33N3O3/c1-4-31(19-18-30(2)3)28(33)26-16-14-24(15-17-26)23-12-10-22(11-13-23)20-32-21-27(35-29(32)34)25-8-6-5-7-9-25/h5-17,27H,4,18-21H2,1-3H3/t27-/m0/s1
InChIKeyDUMZKEMQTXMKRO-MHZLTWQESA-N
MW471.60 g/mol
LogP5.07
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide

N-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide (PubChem CID 70838011) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide
PubChem CID70838011
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC NameN-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide
SMILESCCN(CCN(C)C)C(=O)c1ccc(-c2ccc(CN3C[C@@H](c4ccccc4)OC3=O)cc2)cc1
InChIInChI=1S/C29H33N3O3/c1-4-31(19-18-30(2)3)28(33)26-16-14-24(15-17-26)23-12-10-22(11-13-23)20-32-21-27(35-29(32)34)25-8-6-5-7-9-25/h5-17,27H,4,18-21H2,1-3H3/t27-/m0/s1
InChIKeyDUMZKEMQTXMKRO-MHZLTWQESA-N
XLogP5.07
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide (CID 70838011) is N-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide is CCN(CCN(C)C)C(=O)c1ccc(-c2ccc(CN3C[C@@H](c4ccccc4)OC3=O)cc2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide?
The InChIKey is DUMZKEMQTXMKRO-MHZLTWQESA-N. The full InChI is InChI=1S/C29H33N3O3/c1-4-31(19-18-30(2)3)28(33)26-16-14-24(15-17-26)23-12-10-22(11-13-23)20-32-21-27(35-29(32)34)25-8-6-5-7-9-25/h5-17,27H,4,18-21H2,1-3H3/t27-/m0/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide?
N-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide has a molecular weight of 471.60 g/mol, XLogP of 5.07, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-ethyl-4-[4-[[(5R)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]benzamide is sourced from PubChem (CID 70838011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).