N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide

C15H20F2N2O4 — CID 119816482

IUPACN-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide
SMILESCCOc1cccc(CNC(=O)C2COCCN2)c1OC(F)F
InChIInChI=1S/C15H20F2N2O4/c1-2-22-12-5-3-4-10(13(12)23-15(16)17)8-19-14(20)11-9-21-7-6-18-11/h3-5,11,15,18H,2,6-9H2,1H3,(H,19,20)
InChIKeyHRYFTIDBNHYWAK-UHFFFAOYSA-N
MW330.33 g/mol
LogP1.29
Rot. Bonds7

About N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide

N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide (PubChem CID 119816482) has the molecular formula C15H20F2N2O4 and a molecular weight of 330.33 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide
PubChem CID119816482
Molecular FormulaC15H20F2N2O4
Molecular Weight330.33 g/mol
Exact Mass330.14
IUPAC NameN-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide
SMILESCCOc1cccc(CNC(=O)C2COCCN2)c1OC(F)F
InChIInChI=1S/C15H20F2N2O4/c1-2-22-12-5-3-4-10(13(12)23-15(16)17)8-19-14(20)11-9-21-7-6-18-11/h3-5,11,15,18H,2,6-9H2,1H3,(H,19,20)
InChIKeyHRYFTIDBNHYWAK-UHFFFAOYSA-N
XLogP1.29
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119816481
N-[(2,3-dimethoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119708865
N-[(2-propan-2-yloxyphenyl)methyl]morpholine-3-carboxamide
CID 119707515
(3S)-N-[[2-(3-methylbutoxy)phenyl]methyl]morpholine-3-carboxamide
CID 124682602
N-[[3-(difluoromethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119762990
2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid
CID 81317493
N-[[2-(3-methylphenoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119777833
4-(aminomethyl)-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120936762
3-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119816495
N-[2-(2-fluorophenoxy)propyl]morpholine-3-carboxamide
CID 119804849
N-[2-(2-fluorophenoxy)butyl]morpholine-3-carboxamide
CID 119813317
4-[[[2-(difluoromethoxy)-3-ethoxyphenyl]methylcarbamoylamino]methyl]benzoic acid
CID 122006031

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide?
The IUPAC name of N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide (CID 119816482) is N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide?
The canonical SMILES for N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide is CCOc1cccc(CNC(=O)C2COCCN2)c1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide?
The InChIKey is HRYFTIDBNHYWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O4/c1-2-22-12-5-3-4-10(13(12)23-15(16)17)8-19-14(20)11-9-21-7-6-18-11/h3-5,11,15,18H,2,6-9H2,1H3,(H,19,20).
What are the key properties of N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide?
N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide has a molecular weight of 330.33 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 119816482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).