[1-(2-hydroxyethylamino)-1-oxo-2-[3-(trifluoromethyl)phenyl]hexan-2-yl] carbamate

C16H21F3N2O4 — CID 123362537

IUPAC[1-(2-hydroxyethylamino)-1-oxo-2-[3-(trifluoromethyl)phenyl]hexan-2-yl] carbamate
SMILESCCCCC(OC(N)=O)(C(=O)NCCO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O4/c1-2-3-7-15(25-14(20)24,13(23)21-8-9-22)11-5-4-6-12(10-11)16(17,18)19/h4-6,10,22H,2-3,7-9H2,1H3,(H2,20,24)(H,21,23)
InChIKeyUYNBAGRPULXTAK-UHFFFAOYSA-N
MW362.35 g/mol
LogP2.29
Rot. Bonds8

About [1-(2-hydroxyethylamino)-1-oxo-2-[3-(trifluoromethyl)phenyl]hexan-2-yl] carbamate

[1-(2-hydroxyethylamino)-1-oxo-2-[3-(trifluoromethyl)phenyl]hexan-2-yl] carbamate (PubChem CID 123362537) has the molecular formula C16H21F3N2O4 and a molecular weight of 362.35 g/mol. Its IUPAC name is [1-(2-hydroxyethylamino)-1-oxo-2-[3-(trifluoromethyl)phenyl]hexan-2-yl] carbamate.

Molecular Properties

Compound Name[1-(2-hydroxyethylamino)-1-oxo-2-[3-(trifluoromethyl)phenyl]hexan-2-yl] carbamate
PubChem CID123362537
Molecular FormulaC16H21F3N2O4
Molecular Weight362.35 g/mol
Exact Mass362.15
IUPAC Name[1-(2-hydroxyethylamino)-1-oxo-2-[3-(trifluoromethyl)phenyl]hexan-2-yl] carbamate
SMILESCCCCC(OC(N)=O)(C(=O)NCCO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O4/c1-2-3-7-15(25-14(20)24,13(23)21-8-9-22)11-5-4-6-12(10-11)16(17,18)19/h4-6,10,22H,2-3,7-9H2,1H3,(H2,20,24)(H,21,23)
InChIKeyUYNBAGRPULXTAK-UHFFFAOYSA-N
XLogP2.29
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Cyclohexylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl] acetate
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1-(2,6-Difluorophenyl)-2-[(2-morpholinoethyl)amino]-2-oxoethyl acetate
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(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[2-(dimethylamino)ethoxy]-2-phenylacetamide
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(R)-N-(2-(2-((6-Chlorohexyl)oxy)ethoxy)ethyl)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
CID 52953465
methyl (2S)-4-fluoro-4-methyl-2-[[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]pentanoate
CID 12167159
(2R)-3,3,3-trifluoro-2-methoxy-N-(4-oxotridecan-3-yl)-2-phenylpropanamide
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prop-2-enyl N-[(2R)-2-(4-methylphenyl)-3-[[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]propyl]carbamate
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(2R)-3,3,3-trifluoro-2-methoxy-N-[(2S,3E,5E)-6-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hexa-3,5-dien-2-yl]-2-phenylpropanamide
CID 139090762
(S)-4-phenyl-3-((R)-3,3,3-trifluoro-2-methoxy-2-phenylpropionylamino)butyric acid methyl ester
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N-[[1-[2-(2-fluorophenyl)-2-methoxypropanoyl]pyrrolidin-3-yl]methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxyethylamino)-1-oxo-2-[3-(trifluoromethyl)phenyl]hexan-2-yl] carbamate?
The IUPAC name of [1-(2-hydroxyethylamino)-1-oxo-2-[3-(trifluoromethyl)phenyl]hexan-2-yl] carbamate (CID 123362537) is [1-(2-hydroxyethylamino)-1-oxo-2-[3-(trifluoromethyl)phenyl]hexan-2-yl] carbamate.
What is the SMILES notation for [1-(2-hydroxyethylamino)-1-oxo-2-[3-(trifluoromethyl)phenyl]hexan-2-yl] carbamate?
The canonical SMILES for [1-(2-hydroxyethylamino)-1-oxo-2-[3-(trifluoromethyl)phenyl]hexan-2-yl] carbamate is CCCCC(OC(N)=O)(C(=O)NCCO)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [1-(2-hydroxyethylamino)-1-oxo-2-[3-(trifluoromethyl)phenyl]hexan-2-yl] carbamate?
The InChIKey is UYNBAGRPULXTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O4/c1-2-3-7-15(25-14(20)24,13(23)21-8-9-22)11-5-4-6-12(10-11)16(17,18)19/h4-6,10,22H,2-3,7-9H2,1H3,(H2,20,24)(H,21,23).
What are the key properties of [1-(2-hydroxyethylamino)-1-oxo-2-[3-(trifluoromethyl)phenyl]hexan-2-yl] carbamate?
[1-(2-hydroxyethylamino)-1-oxo-2-[3-(trifluoromethyl)phenyl]hexan-2-yl] carbamate has a molecular weight of 362.35 g/mol, XLogP of 2.29, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxyethylamino)-1-oxo-2-[3-(trifluoromethyl)phenyl]hexan-2-yl] carbamate is sourced from PubChem (CID 123362537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).