N-ethyl-N-[[2-[2-methoxy-5-[(2S)-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxopropan-2-yl]phenyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide

C34H35F3N2O5 — CID 54673873

IUPACN-ethyl-N-[[2-[2-methoxy-5-[(2S)-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxopropan-2-yl]phenyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide
SMILESCCN(Cc1cc(C(F)(F)F)ccc1-c1cc([C@H](C)C(=O)N2C(=O)O[C@@H](c3ccccc3)[C@H]2C)ccc1OC)C(=O)C1CC1
InChIInChI=1S/C34H35F3N2O5/c1-5-38(32(41)23-11-12-23)19-25-17-26(34(35,36)37)14-15-27(25)28-18-24(13-16-29(28)43-4)20(2)31(40)39-21(3)30(44-33(39)42)22-9-7-6-8-10-22/h6-10,13-18,20-21,23,30H,5,11-12,19H2,1-4H3/t20-,21+,30+/m0/s1
InChIKeyKFZHTRCRZDXBOP-KSWJDTNCSA-N
MW608.66 g/mol
LogP7.35
Rot. Bonds9

About N-ethyl-N-[[2-[2-methoxy-5-[(2S)-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxopropan-2-yl]phenyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide

N-ethyl-N-[[2-[2-methoxy-5-[(2S)-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxopropan-2-yl]phenyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide (PubChem CID 54673873) has the molecular formula C34H35F3N2O5 and a molecular weight of 608.66 g/mol. Its IUPAC name is N-ethyl-N-[[2-[2-methoxy-5-[(2S)-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxopropan-2-yl]phenyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[2-[2-methoxy-5-[(2S)-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxopropan-2-yl]phenyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide
PubChem CID54673873
Molecular FormulaC34H35F3N2O5
Molecular Weight608.66 g/mol
Exact Mass608.25
IUPAC NameN-ethyl-N-[[2-[2-methoxy-5-[(2S)-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxopropan-2-yl]phenyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide
SMILESCCN(Cc1cc(C(F)(F)F)ccc1-c1cc([C@H](C)C(=O)N2C(=O)O[C@@H](c3ccccc3)[C@H]2C)ccc1OC)C(=O)C1CC1
InChIInChI=1S/C34H35F3N2O5/c1-5-38(32(41)23-11-12-23)19-25-17-26(34(35,36)37)14-15-27(25)28-18-24(13-16-29(28)43-4)20(2)31(40)39-21(3)30(44-33(39)42)22-9-7-6-8-10-22/h6-10,13-18,20-21,23,30H,5,11-12,19H2,1-4H3/t20-,21+,30+/m0/s1
InChIKeyKFZHTRCRZDXBOP-KSWJDTNCSA-N
XLogP7.35
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.66
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-ethyl-N-[[2-[2-methoxy-5-[(2S)-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxopropan-2-yl]phenyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-ethyl-N-[[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide
CID 141371737
(2R)-2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-5-methoxyphenyl]propanoic acid
CID 118619846
(5S)-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one
CID 57391801
1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylimidazolidin-2-one
CID 58604029
(4R,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-ethyl-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 56670390
2-[5-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-6-methoxy-3-pyridinyl]acetic acid
CID 45138482
[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl-methylcarbamic acid
CID 68873856
(4R,5S)-4-[3,5-bis(trifluoromethyl)phenyl]-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-methylimidazolidin-2-one
CID 11541820
methyl 2-[4-chloro-3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]indazol-1-yl]propanoate
CID 71223582
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 11678756
methyl N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
CID 11635228
2-[7-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-2-methylpyrrolo[1,2-b]pyridazin-5-yl]acetic acid
CID 71226099

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[2-[2-methoxy-5-[(2S)-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxopropan-2-yl]phenyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-ethyl-N-[[2-[2-methoxy-5-[(2S)-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxopropan-2-yl]phenyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide (CID 54673873) is N-ethyl-N-[[2-[2-methoxy-5-[(2S)-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxopropan-2-yl]phenyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-ethyl-N-[[2-[2-methoxy-5-[(2S)-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxopropan-2-yl]phenyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-ethyl-N-[[2-[2-methoxy-5-[(2S)-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxopropan-2-yl]phenyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide is CCN(Cc1cc(C(F)(F)F)ccc1-c1cc([C@H](C)C(=O)N2C(=O)O[C@@H](c3ccccc3)[C@H]2C)ccc1OC)C(=O)C1CC1.
What is the InChIKey of N-ethyl-N-[[2-[2-methoxy-5-[(2S)-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxopropan-2-yl]phenyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide?
The InChIKey is KFZHTRCRZDXBOP-KSWJDTNCSA-N. The full InChI is InChI=1S/C34H35F3N2O5/c1-5-38(32(41)23-11-12-23)19-25-17-26(34(35,36)37)14-15-27(25)28-18-24(13-16-29(28)43-4)20(2)31(40)39-21(3)30(44-33(39)42)22-9-7-6-8-10-22/h6-10,13-18,20-21,23,30H,5,11-12,19H2,1-4H3/t20-,21+,30+/m0/s1.
What are the key properties of N-ethyl-N-[[2-[2-methoxy-5-[(2S)-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxopropan-2-yl]phenyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide?
N-ethyl-N-[[2-[2-methoxy-5-[(2S)-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxopropan-2-yl]phenyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide has a molecular weight of 608.66 g/mol, XLogP of 7.35, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[2-[2-methoxy-5-[(2S)-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxopropan-2-yl]phenyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 54673873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).