(2S)-N-[2-(difluoromethoxy)phenyl]-2-ethylmorpholine-4-carboxamide

C14H18F2N2O3 — CID 95276927

IUPAC(2S)-N-[2-(difluoromethoxy)phenyl]-2-ethylmorpholine-4-carboxamide
SMILESCC[C@H]1CN(C(=O)Nc2ccccc2OC(F)F)CCO1
InChIInChI=1S/C14H18F2N2O3/c1-2-10-9-18(7-8-20-10)14(19)17-11-5-3-4-6-12(11)21-13(15)16/h3-6,10,13H,2,7-9H2,1H3,(H,17,19)/t10-/m0/s1
InChIKeyXSRWXXPVLUCCKF-JTQLQIEISA-N
MW300.30 g/mol
LogP2.93
Rot. Bonds4

About (2S)-N-[2-(difluoromethoxy)phenyl]-2-ethylmorpholine-4-carboxamide

(2S)-N-[2-(difluoromethoxy)phenyl]-2-ethylmorpholine-4-carboxamide (PubChem CID 95276927) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.30 g/mol. Its IUPAC name is (2S)-N-[2-(difluoromethoxy)phenyl]-2-ethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(difluoromethoxy)phenyl]-2-ethylmorpholine-4-carboxamide
PubChem CID95276927
Molecular FormulaC14H18F2N2O3
Molecular Weight300.30 g/mol
Exact Mass300.13
IUPAC Name(2S)-N-[2-(difluoromethoxy)phenyl]-2-ethylmorpholine-4-carboxamide
SMILESCC[C@H]1CN(C(=O)Nc2ccccc2OC(F)F)CCO1
InChIInChI=1S/C14H18F2N2O3/c1-2-10-9-18(7-8-20-10)14(19)17-11-5-3-4-6-12(11)21-13(15)16/h3-6,10,13H,2,7-9H2,1H3,(H,17,19)/t10-/m0/s1
InChIKeyXSRWXXPVLUCCKF-JTQLQIEISA-N
XLogP2.93
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61203216
N-[2-(difluoromethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111424799
1-[[2-(difluoromethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031385
2-(difluoromethoxy)-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172188
[2-(aminomethyl)morpholin-4-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 61337007
N-(2-fluorophenyl)-2-(hydroxymethyl)morpholine-4-carboxamide
CID 79831251
2-(2-aminoethyl)-N-[2-(4-fluorophenoxy)phenyl]morpholine-4-carboxamide
CID 74240763
2-ethyl-N-(4-methylphenyl)morpholine-4-carboxamide
CID 42884313
2-ethyl-N-(3-phenoxyphenyl)morpholine-4-carboxamide
CID 75405540
2-[2-(difluoromethoxy)anilino]-1-morpholin-4-ylethanone
CID 43217744
methyl 4-[(2-methoxyphenyl)carbamoyl]morpholine-2-carboxylate
CID 78927066
methyl 4-[[(2S)-2-ethylmorpholine-4-carbonyl]amino]benzoate
CID 95160013

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(difluoromethoxy)phenyl]-2-ethylmorpholine-4-carboxamide?
The IUPAC name of (2S)-N-[2-(difluoromethoxy)phenyl]-2-ethylmorpholine-4-carboxamide (CID 95276927) is (2S)-N-[2-(difluoromethoxy)phenyl]-2-ethylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-[2-(difluoromethoxy)phenyl]-2-ethylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-N-[2-(difluoromethoxy)phenyl]-2-ethylmorpholine-4-carboxamide is CC[C@H]1CN(C(=O)Nc2ccccc2OC(F)F)CCO1.
What is the InChIKey of (2S)-N-[2-(difluoromethoxy)phenyl]-2-ethylmorpholine-4-carboxamide?
The InChIKey is XSRWXXPVLUCCKF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18F2N2O3/c1-2-10-9-18(7-8-20-10)14(19)17-11-5-3-4-6-12(11)21-13(15)16/h3-6,10,13H,2,7-9H2,1H3,(H,17,19)/t10-/m0/s1.
What are the key properties of (2S)-N-[2-(difluoromethoxy)phenyl]-2-ethylmorpholine-4-carboxamide?
(2S)-N-[2-(difluoromethoxy)phenyl]-2-ethylmorpholine-4-carboxamide has a molecular weight of 300.30 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(difluoromethoxy)phenyl]-2-ethylmorpholine-4-carboxamide is sourced from PubChem (CID 95276927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).