ethyl N-[3-oxo-3-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]amino]propyl]carbamate

C16H19F3N2O3 — CID 95273586

IUPACethyl N-[3-oxo-3-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]amino]propyl]carbamate
SMILESCCOC(=O)NCCC(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C16H19F3N2O3/c1-2-24-15(23)20-8-7-14(22)21-13-9-11(13)10-5-3-4-6-12(10)16(17,18)19/h3-6,11,13H,2,7-9H2,1H3,(H,20,23)(H,21,22)/t11-,13-/m0/s1
InChIKeySOCHHZVWPMJCMQ-AAEUAGOBSA-N
MW344.33 g/mol
LogP2.81
Rot. Bonds6

About ethyl N-[3-oxo-3-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]amino]propyl]carbamate

ethyl N-[3-oxo-3-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]amino]propyl]carbamate (PubChem CID 95273586) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is ethyl N-[3-oxo-3-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]amino]propyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-oxo-3-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]amino]propyl]carbamate
PubChem CID95273586
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Nameethyl N-[3-oxo-3-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]amino]propyl]carbamate
SMILESCCOC(=O)NCCC(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C16H19F3N2O3/c1-2-24-15(23)20-8-7-14(22)21-13-9-11(13)10-5-3-4-6-12(10)16(17,18)19/h3-6,11,13H,2,7-9H2,1H3,(H,20,23)(H,21,22)/t11-,13-/m0/s1
InChIKeySOCHHZVWPMJCMQ-AAEUAGOBSA-N
XLogP2.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95273692
3-acetamido-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95273694
3-amino-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]butanamide;hydrochloride
CID 119766578
tert-butyl N-[3-[[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]amino]-3-oxopropyl]carbamate
CID 95331057
tert-butyl N-[3-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]amino]-3-oxopropyl]carbamate
CID 95331056
3-(triazol-1-yl)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95297576
3-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95297577
(2R)-2-methylsulfanyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 124839823
ethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 108573656
3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 119176944
N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide
CID 97256128
N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide
CID 75399293

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-oxo-3-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]amino]propyl]carbamate?
The IUPAC name of ethyl N-[3-oxo-3-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]amino]propyl]carbamate (CID 95273586) is ethyl N-[3-oxo-3-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]amino]propyl]carbamate.
What is the SMILES notation for ethyl N-[3-oxo-3-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]amino]propyl]carbamate?
The canonical SMILES for ethyl N-[3-oxo-3-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]amino]propyl]carbamate is CCOC(=O)NCCC(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F.
What is the InChIKey of ethyl N-[3-oxo-3-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]amino]propyl]carbamate?
The InChIKey is SOCHHZVWPMJCMQ-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c1-2-24-15(23)20-8-7-14(22)21-13-9-11(13)10-5-3-4-6-12(10)16(17,18)19/h3-6,11,13H,2,7-9H2,1H3,(H,20,23)(H,21,22)/t11-,13-/m0/s1.
What are the key properties of ethyl N-[3-oxo-3-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]amino]propyl]carbamate?
ethyl N-[3-oxo-3-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]amino]propyl]carbamate has a molecular weight of 344.33 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-oxo-3-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]amino]propyl]carbamate is sourced from PubChem (CID 95273586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).