N-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N-ethylacetamide

C32H36F6N2O4 — CID 89052374

IUPACN-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1ccc(OC)c(C2=C(CN3C(=O)O[C@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H]3C)CC(C)(C)CC2)c1
InChIInChI=1S/C32H36F6N2O4/c1-7-39(19(3)41)24-8-9-27(43-6)26(15-24)25-10-11-30(4,5)16-21(25)17-40-18(2)28(44-29(40)42)20-12-22(31(33,34)35)14-23(13-20)32(36,37)38/h8-9,12-15,18,28H,7,10-11,16-17H2,1-6H3/t18-,28-/m0/s1
InChIKeyKJUZVGFOXZKVAA-JMQGSBJISA-N
MW626.64 g/mol
LogP8.65
Rot. Bonds7

About N-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N-ethylacetamide

N-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N-ethylacetamide (PubChem CID 89052374) has the molecular formula C32H36F6N2O4 and a molecular weight of 626.64 g/mol. Its IUPAC name is N-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N-ethylacetamide
PubChem CID89052374
Molecular FormulaC32H36F6N2O4
Molecular Weight626.64 g/mol
Exact Mass626.26
IUPAC NameN-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1ccc(OC)c(C2=C(CN3C(=O)O[C@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H]3C)CC(C)(C)CC2)c1
InChIInChI=1S/C32H36F6N2O4/c1-7-39(19(3)41)24-8-9-27(43-6)26(15-24)25-10-11-30(4,5)16-21(25)17-40-18(2)28(44-29(40)42)20-12-22(31(33,34)35)14-23(13-20)32(36,37)38/h8-9,12-15,18,28H,7,10-11,16-17H2,1-6H3/t18-,28-/m0/s1
InChIKeyKJUZVGFOXZKVAA-JMQGSBJISA-N
XLogP8.65
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.64
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N-ethylacetamide with MolForge

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Related Compounds

(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropyl]-4-methyl-1,3-oxazolidin-2-one
CID 137633168
5-Benzyl-5-fluoro-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 132574281
5-Benzyl-5-fluoro-3-(4-methoxyphenyl)-4-methyl-1,3-oxazolidin-2-one
CID 141482635
5-Fluoro-3-(4-methoxyphenyl)-5-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 141482645
5-Fluoro-3-(4-methoxyphenyl)-5-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 141482652
5-(4-Fluorophenyl)-4-(2-pyrrolidin-1-ylethoxy)-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one
CID 73507655
5-(4-Fluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]-1-[4-(trifluoromethoxy)phenyl]pyridin-2-one
CID 73507688
3-Ethyl-7-[4-methyl-6-oxo-1-[4-(trifluoromethoxy)phenyl]pyridin-3-yl]-1,3-benzoxazol-2-one
CID 117880251
tert-butyl N-benzyl-N-[(4S)-4-(4-methoxy-N-(2,2,2-trifluoroacetyl)anilino)hex-5-enyl]carbamate
CID 135054049
(4S)-4-benzyl-3-[(Z)-4,4,4-trifluoro-3-(4-methoxyanilino)but-2-enoyl]-1,3-oxazolidin-2-one
CID 102328779
5-(methoxymethyl)-3-[2-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromen-6-yl]-1,3-oxazolidin-2-one
CID 9798910
(5S)-(-)-5-[4-(4-fluorobenzyl)-1-piperidinylmethyl]-3-(4-methoxyphenyl)-oxazolidin-2-one
CID 9865613

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N-ethylacetamide?
The IUPAC name of N-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N-ethylacetamide (CID 89052374) is N-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N-ethylacetamide.
What is the SMILES notation for N-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N-ethylacetamide?
The canonical SMILES for N-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N-ethylacetamide is CCN(C(C)=O)c1ccc(OC)c(C2=C(CN3C(=O)O[C@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H]3C)CC(C)(C)CC2)c1.
What is the InChIKey of N-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N-ethylacetamide?
The InChIKey is KJUZVGFOXZKVAA-JMQGSBJISA-N. The full InChI is InChI=1S/C32H36F6N2O4/c1-7-39(19(3)41)24-8-9-27(43-6)26(15-24)25-10-11-30(4,5)16-21(25)17-40-18(2)28(44-29(40)42)20-12-22(31(33,34)35)14-23(13-20)32(36,37)38/h8-9,12-15,18,28H,7,10-11,16-17H2,1-6H3/t18-,28-/m0/s1.
What are the key properties of N-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N-ethylacetamide?
N-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N-ethylacetamide has a molecular weight of 626.64 g/mol, XLogP of 8.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-N-ethylacetamide is sourced from PubChem (CID 89052374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).