N-[2-(cyclopropylmethoxy)phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide

C16H19F3N2O3 — CID 136527511

IUPACN-[2-(cyclopropylmethoxy)phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide
SMILESO=C(Nc1ccccc1OCC1CC1)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C16H19F3N2O3/c17-16(18,19)14-9-21(7-8-23-14)15(22)20-12-3-1-2-4-13(12)24-10-11-5-6-11/h1-4,11,14H,5-10H2,(H,20,22)
InChIKeyFAVHTLCDXICWEG-UHFFFAOYSA-N
MW344.33 g/mol
LogP3.27
Rot. Bonds4

About N-[2-(cyclopropylmethoxy)phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide

N-[2-(cyclopropylmethoxy)phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide (PubChem CID 136527511) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide
PubChem CID136527511
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC NameN-[2-(cyclopropylmethoxy)phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide
SMILESO=C(Nc1ccccc1OCC1CC1)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C16H19F3N2O3/c17-16(18,19)14-9-21(7-8-23-14)15(22)20-12-3-1-2-4-13(12)24-10-11-5-6-11/h1-4,11,14H,5-10H2,(H,20,22)
InChIKeyFAVHTLCDXICWEG-UHFFFAOYSA-N
XLogP3.27
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclopropylmethoxy)phenyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111453701
1-[[2-(cyclopropylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122085447
(8aS)-N-[2-(cyclopropylmethoxy)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 164642524
N-[2-(cyclopropylmethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111453726
(2S)-N-[2-(difluoromethoxy)phenyl]-2-ethylmorpholine-4-carboxamide
CID 95276927
4-(cyclopropylmethyl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide
CID 129368188
(4aS,8aS)-N-(2-ethoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944761
N-[2-(2,2-difluoroethoxy)phenyl]-3-(ethoxymethyl)pyrrolidine-1-carboxamide
CID 71849484
N-(2-ethoxyphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
CID 90584758
(2S)-N-(2-ethoxy-4-fluorophenyl)-2-methylmorpholine-4-carboxamide
CID 94148395
methyl 4-[(2-methoxyphenyl)carbamoyl]morpholine-2-carboxylate
CID 78927066
N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 125163740

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide?
The IUPAC name of N-[2-(cyclopropylmethoxy)phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide (CID 136527511) is N-[2-(cyclopropylmethoxy)phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide?
The canonical SMILES for N-[2-(cyclopropylmethoxy)phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide is O=C(Nc1ccccc1OCC1CC1)N1CCOC(C(F)(F)F)C1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide?
The InChIKey is FAVHTLCDXICWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c17-16(18,19)14-9-21(7-8-23-14)15(22)20-12-3-1-2-4-13(12)24-10-11-5-6-11/h1-4,11,14H,5-10H2,(H,20,22).
What are the key properties of N-[2-(cyclopropylmethoxy)phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide?
N-[2-(cyclopropylmethoxy)phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide has a molecular weight of 344.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)phenyl]-2-(trifluoromethyl)morpholine-4-carboxamide is sourced from PubChem (CID 136527511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).