2-methyl-N-[3-oxo-3-[2-[4-(trifluoromethoxy)phenyl]ethylamino]propyl]cyclopropane-1-carboxamide

C17H21F3N2O3 — CID 47043798

IUPAC2-methyl-N-[3-oxo-3-[2-[4-(trifluoromethoxy)phenyl]ethylamino]propyl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCC(=O)NCCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H21F3N2O3/c1-11-10-14(11)16(24)22-9-7-15(23)21-8-6-12-2-4-13(5-3-12)25-17(18,19)20/h2-5,11,14H,6-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyRECNUEHOMUTYGU-UHFFFAOYSA-N
MW358.36 g/mol
LogP2.41
Rot. Bonds8

About 2-methyl-N-[3-oxo-3-[2-[4-(trifluoromethoxy)phenyl]ethylamino]propyl]cyclopropane-1-carboxamide

2-methyl-N-[3-oxo-3-[2-[4-(trifluoromethoxy)phenyl]ethylamino]propyl]cyclopropane-1-carboxamide (PubChem CID 47043798) has the molecular formula C17H21F3N2O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is 2-methyl-N-[3-oxo-3-[2-[4-(trifluoromethoxy)phenyl]ethylamino]propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-oxo-3-[2-[4-(trifluoromethoxy)phenyl]ethylamino]propyl]cyclopropane-1-carboxamide
PubChem CID47043798
Molecular FormulaC17H21F3N2O3
Molecular Weight358.36 g/mol
Exact Mass358.15
IUPAC Name2-methyl-N-[3-oxo-3-[2-[4-(trifluoromethoxy)phenyl]ethylamino]propyl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCC(=O)NCCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H21F3N2O3/c1-11-10-14(11)16(24)22-9-7-15(23)21-8-6-12-2-4-13(5-3-12)25-17(18,19)20/h2-5,11,14H,6-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyRECNUEHOMUTYGU-UHFFFAOYSA-N
XLogP2.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride
CID 119288366
cis-(1R,2S)-N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94178640
3-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]propanoic acid
CID 119177395
N-[2-(4-hydroxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 47292025
N-ethyl-2-[2-[4-(trifluoromethoxy)phenyl]ethylcarbamoylamino]acetamide
CID 87000141
trans-(1S,2S)-N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94164156
(3S,4R)-N-(2-phenylethyl)-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 68609563
N-propyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 61059305
N-(3-hydroxy-4-methylpentyl)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 111460702
4-methyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine-2-carboxamide
CID 138050957
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 55696660
2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 78896739

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-oxo-3-[2-[4-(trifluoromethoxy)phenyl]ethylamino]propyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-[3-oxo-3-[2-[4-(trifluoromethoxy)phenyl]ethylamino]propyl]cyclopropane-1-carboxamide (CID 47043798) is 2-methyl-N-[3-oxo-3-[2-[4-(trifluoromethoxy)phenyl]ethylamino]propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-oxo-3-[2-[4-(trifluoromethoxy)phenyl]ethylamino]propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[3-oxo-3-[2-[4-(trifluoromethoxy)phenyl]ethylamino]propyl]cyclopropane-1-carboxamide is CC1CC1C(=O)NCCC(=O)NCCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[3-oxo-3-[2-[4-(trifluoromethoxy)phenyl]ethylamino]propyl]cyclopropane-1-carboxamide?
The InChIKey is RECNUEHOMUTYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O3/c1-11-10-14(11)16(24)22-9-7-15(23)21-8-6-12-2-4-13(5-3-12)25-17(18,19)20/h2-5,11,14H,6-10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-methyl-N-[3-oxo-3-[2-[4-(trifluoromethoxy)phenyl]ethylamino]propyl]cyclopropane-1-carboxamide?
2-methyl-N-[3-oxo-3-[2-[4-(trifluoromethoxy)phenyl]ethylamino]propyl]cyclopropane-1-carboxamide has a molecular weight of 358.36 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-oxo-3-[2-[4-(trifluoromethoxy)phenyl]ethylamino]propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 47043798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).