[2-(cyclopropylmethylamino)-2-oxoethyl] N-[[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]methyl]carbamate

C18H22F3N3O3 — CID 68574293

IUPAC[2-(cyclopropylmethylamino)-2-oxoethyl] N-[[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]methyl]carbamate
SMILESO=C(COC(=O)NCC1CN(c2cccc(C(F)(F)F)c2)C1)NCC1CC1
InChIInChI=1S/C18H22F3N3O3/c19-18(20,21)14-2-1-3-15(6-14)24-9-13(10-24)8-23-17(26)27-11-16(25)22-7-12-4-5-12/h1-3,6,12-13H,4-5,7-11H2,(H,22,25)(H,23,26)
InChIKeyWUJJLJGKHHUWHH-UHFFFAOYSA-N
MW385.39 g/mol
LogP2.39
Rot. Bonds7

About [2-(cyclopropylmethylamino)-2-oxoethyl] N-[[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]methyl]carbamate

[2-(cyclopropylmethylamino)-2-oxoethyl] N-[[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]methyl]carbamate (PubChem CID 68574293) has the molecular formula C18H22F3N3O3 and a molecular weight of 385.39 g/mol. Its IUPAC name is [2-(cyclopropylmethylamino)-2-oxoethyl] N-[[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Name[2-(cyclopropylmethylamino)-2-oxoethyl] N-[[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]methyl]carbamate
PubChem CID68574293
Molecular FormulaC18H22F3N3O3
Molecular Weight385.39 g/mol
Exact Mass385.16
IUPAC Name[2-(cyclopropylmethylamino)-2-oxoethyl] N-[[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]methyl]carbamate
SMILESO=C(COC(=O)NCC1CN(c2cccc(C(F)(F)F)c2)C1)NCC1CC1
InChIInChI=1S/C18H22F3N3O3/c19-18(20,21)14-2-1-3-15(6-14)24-9-13(10-24)8-23-17(26)27-11-16(25)22-7-12-4-5-12/h1-3,6,12-13H,4-5,7-11H2,(H,22,25)(H,23,26)
InChIKeyWUJJLJGKHHUWHH-UHFFFAOYSA-N
XLogP2.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(cyclopropylmethylamino)-2-oxoethyl] N-[[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]methyl]carbamate with MolForge

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Related Compounds

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CID 28571844
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CID 2571455
[2-(methylamino)-2-oxoethyl] 4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxylate
CID 69364898
[2-(methylamino)-2-oxoethyl] N-[2-[4-fluoro-1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]carbamate
CID 68575415
N-(cyclopropylmethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 37036339
(2-amino-2-oxoethyl)-[[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]methyl]carbamic acid
CID 67136682
2-[(2-methylpropan-2-yl)oxy]-N-[3-[4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]cyclohexyl]propyl]acetamide
CID 162564531
2,2,2-trifluoroethyl N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]carbamate
CID 78905464
N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 60613992
[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-[[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]methyl]carbamic acid
CID 67137223
N-(cyclopropylmethyl)-1-[3-[3-methyl-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxamide
CID 118325083
1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethylamino)-2-oxoethyl] N-[[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]methyl]carbamate?
The IUPAC name of [2-(cyclopropylmethylamino)-2-oxoethyl] N-[[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]methyl]carbamate (CID 68574293) is [2-(cyclopropylmethylamino)-2-oxoethyl] N-[[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]methyl]carbamate.
What is the SMILES notation for [2-(cyclopropylmethylamino)-2-oxoethyl] N-[[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]methyl]carbamate?
The canonical SMILES for [2-(cyclopropylmethylamino)-2-oxoethyl] N-[[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]methyl]carbamate is O=C(COC(=O)NCC1CN(c2cccc(C(F)(F)F)c2)C1)NCC1CC1.
What is the InChIKey of [2-(cyclopropylmethylamino)-2-oxoethyl] N-[[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]methyl]carbamate?
The InChIKey is WUJJLJGKHHUWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O3/c19-18(20,21)14-2-1-3-15(6-14)24-9-13(10-24)8-23-17(26)27-11-16(25)22-7-12-4-5-12/h1-3,6,12-13H,4-5,7-11H2,(H,22,25)(H,23,26).
What are the key properties of [2-(cyclopropylmethylamino)-2-oxoethyl] N-[[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]methyl]carbamate?
[2-(cyclopropylmethylamino)-2-oxoethyl] N-[[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]methyl]carbamate has a molecular weight of 385.39 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethylamino)-2-oxoethyl] N-[[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]methyl]carbamate is sourced from PubChem (CID 68574293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).