N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]morpholine-2-carboxamide

C14H18F2N2O4 — CID 119816344

IUPACN-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]morpholine-2-carboxamide
SMILESCOc1ccc(OC(F)F)c(CNC(=O)C2CNCCO2)c1
InChIInChI=1S/C14H18F2N2O4/c1-20-10-2-3-11(22-14(15)16)9(6-10)7-18-13(19)12-8-17-4-5-21-12/h2-3,6,12,14,17H,4-5,7-8H2,1H3,(H,18,19)
InChIKeySETKTSQJNFASCA-UHFFFAOYSA-N
MW316.30 g/mol
LogP0.90
Rot. Bonds6

About N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]morpholine-2-carboxamide

N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]morpholine-2-carboxamide (PubChem CID 119816344) has the molecular formula C14H18F2N2O4 and a molecular weight of 316.30 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]morpholine-2-carboxamide
PubChem CID119816344
Molecular FormulaC14H18F2N2O4
Molecular Weight316.30 g/mol
Exact Mass316.12
IUPAC NameN-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]morpholine-2-carboxamide
SMILESCOc1ccc(OC(F)F)c(CNC(=O)C2CNCCO2)c1
InChIInChI=1S/C14H18F2N2O4/c1-20-10-2-3-11(22-14(15)16)9(6-10)7-18-13(19)12-8-17-4-5-21-12/h2-3,6,12,14,17H,4-5,7-8H2,1H3,(H,18,19)
InChIKeySETKTSQJNFASCA-UHFFFAOYSA-N
XLogP0.90
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120936748
(2S,4S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120638174
N-[(2-propan-2-yloxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119707554
N-(2,5-dimethoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119674283
N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119809493
(2S)-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-2-carboxamide
CID 99943698
N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]morpholine-2-carboxamide
CID 119758431
N-[(4-methyl-2-phenoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119811725
N-[2-(4-fluorophenoxy)propyl]morpholine-2-carboxamide
CID 119804499
(3S)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 81140138
(3R)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 124741336
N-[(2-ethylphenyl)methyl]morpholine-2-carboxamide
CID 64682849

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]morpholine-2-carboxamide?
The IUPAC name of N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]morpholine-2-carboxamide (CID 119816344) is N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]morpholine-2-carboxamide?
The canonical SMILES for N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]morpholine-2-carboxamide is COc1ccc(OC(F)F)c(CNC(=O)C2CNCCO2)c1.
What is the InChIKey of N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]morpholine-2-carboxamide?
The InChIKey is SETKTSQJNFASCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O4/c1-20-10-2-3-11(22-14(15)16)9(6-10)7-18-13(19)12-8-17-4-5-21-12/h2-3,6,12,14,17H,4-5,7-8H2,1H3,(H,18,19).
What are the key properties of N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]morpholine-2-carboxamide?
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]morpholine-2-carboxamide has a molecular weight of 316.30 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 119816344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).