3-(dimethylamino)-5-[2-ethoxy-3-[[4-[(1S)-1-hydroxyethyl]-1,2-oxazolidin-2-yl]methyl]cyclohexyl]-N-methylcyclohexane-1-carboxamide

C24H45N3O4 — CID 143635267

IUPAC3-(dimethylamino)-5-[2-ethoxy-3-[[4-[(1S)-1-hydroxyethyl]-1,2-oxazolidin-2-yl]methyl]cyclohexyl]-N-methylcyclohexane-1-carboxamide
SMILESCCOC1C(CN2CC([C@H](C)O)CO2)CCCC1C1CC(C(=O)NC)CC(N(C)C)C1
InChIInChI=1S/C24H45N3O4/c1-6-30-23-17(13-27-14-20(15-31-27)16(2)28)8-7-9-22(23)18-10-19(24(29)25-3)12-21(11-18)26(4)5/h16-23,28H,6-15H2,1-5H3,(H,25,29)/t16-,17?,18?,19?,20?,21?,22?,23?/m0/s1
InChIKeyPHXIXTPTHFPZEU-ZVKOYPPWSA-N
MW439.64 g/mol
LogP2.14
Rot. Bonds8

About 3-(dimethylamino)-5-[2-ethoxy-3-[[4-[(1S)-1-hydroxyethyl]-1,2-oxazolidin-2-yl]methyl]cyclohexyl]-N-methylcyclohexane-1-carboxamide

3-(dimethylamino)-5-[2-ethoxy-3-[[4-[(1S)-1-hydroxyethyl]-1,2-oxazolidin-2-yl]methyl]cyclohexyl]-N-methylcyclohexane-1-carboxamide (PubChem CID 143635267) has the molecular formula C24H45N3O4 and a molecular weight of 439.64 g/mol. Its IUPAC name is 3-(dimethylamino)-5-[2-ethoxy-3-[[4-[(1S)-1-hydroxyethyl]-1,2-oxazolidin-2-yl]methyl]cyclohexyl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-5-[2-ethoxy-3-[[4-[(1S)-1-hydroxyethyl]-1,2-oxazolidin-2-yl]methyl]cyclohexyl]-N-methylcyclohexane-1-carboxamide
PubChem CID143635267
Molecular FormulaC24H45N3O4
Molecular Weight439.64 g/mol
Exact Mass439.34
IUPAC Name3-(dimethylamino)-5-[2-ethoxy-3-[[4-[(1S)-1-hydroxyethyl]-1,2-oxazolidin-2-yl]methyl]cyclohexyl]-N-methylcyclohexane-1-carboxamide
SMILESCCOC1C(CN2CC([C@H](C)O)CO2)CCCC1C1CC(C(=O)NC)CC(N(C)C)C1
InChIInChI=1S/C24H45N3O4/c1-6-30-23-17(13-27-14-20(15-31-27)16(2)28)8-7-9-22(23)18-10-19(24(29)25-3)12-21(11-18)26(4)5/h16-23,28H,6-15H2,1-5H3,(H,25,29)/t16-,17?,18?,19?,20?,21?,22?,23?/m0/s1
InChIKeyPHXIXTPTHFPZEU-ZVKOYPPWSA-N
XLogP2.14
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.64
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-5-[2-ethoxy-3-[[4-[(1S)-1-hydroxyethyl]-1,2-oxazolidin-2-yl]methyl]cyclohexyl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 3-(dimethylamino)-5-[2-ethoxy-3-[[4-[(1S)-1-hydroxyethyl]-1,2-oxazolidin-2-yl]methyl]cyclohexyl]-N-methylcyclohexane-1-carboxamide (CID 143635267) is 3-(dimethylamino)-5-[2-ethoxy-3-[[4-[(1S)-1-hydroxyethyl]-1,2-oxazolidin-2-yl]methyl]cyclohexyl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-5-[2-ethoxy-3-[[4-[(1S)-1-hydroxyethyl]-1,2-oxazolidin-2-yl]methyl]cyclohexyl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 3-(dimethylamino)-5-[2-ethoxy-3-[[4-[(1S)-1-hydroxyethyl]-1,2-oxazolidin-2-yl]methyl]cyclohexyl]-N-methylcyclohexane-1-carboxamide is CCOC1C(CN2CC([C@H](C)O)CO2)CCCC1C1CC(C(=O)NC)CC(N(C)C)C1.
What is the InChIKey of 3-(dimethylamino)-5-[2-ethoxy-3-[[4-[(1S)-1-hydroxyethyl]-1,2-oxazolidin-2-yl]methyl]cyclohexyl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is PHXIXTPTHFPZEU-ZVKOYPPWSA-N. The full InChI is InChI=1S/C24H45N3O4/c1-6-30-23-17(13-27-14-20(15-31-27)16(2)28)8-7-9-22(23)18-10-19(24(29)25-3)12-21(11-18)26(4)5/h16-23,28H,6-15H2,1-5H3,(H,25,29)/t16-,17?,18?,19?,20?,21?,22?,23?/m0/s1.
What are the key properties of 3-(dimethylamino)-5-[2-ethoxy-3-[[4-[(1S)-1-hydroxyethyl]-1,2-oxazolidin-2-yl]methyl]cyclohexyl]-N-methylcyclohexane-1-carboxamide?
3-(dimethylamino)-5-[2-ethoxy-3-[[4-[(1S)-1-hydroxyethyl]-1,2-oxazolidin-2-yl]methyl]cyclohexyl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 439.64 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-5-[2-ethoxy-3-[[4-[(1S)-1-hydroxyethyl]-1,2-oxazolidin-2-yl]methyl]cyclohexyl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 143635267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).