N-but-3-en-2-yl-2-[3-(difluoromethoxy)phenyl]morpholine-4-carboxamide

C16H20F2N2O3 — CID 75391109

IUPACN-but-3-en-2-yl-2-[3-(difluoromethoxy)phenyl]morpholine-4-carboxamide
SMILESC=CC(C)NC(=O)N1CCOC(c2cccc(OC(F)F)c2)C1
InChIInChI=1S/C16H20F2N2O3/c1-3-11(2)19-16(21)20-7-8-22-14(10-20)12-5-4-6-13(9-12)23-15(17)18/h3-6,9,11,14-15H,1,7-8,10H2,2H3,(H,19,21)
InChIKeyRPMZUMGVUSXDHP-UHFFFAOYSA-N
MW326.34 g/mol
LogP2.95
Rot. Bonds5

About N-but-3-en-2-yl-2-[3-(difluoromethoxy)phenyl]morpholine-4-carboxamide

N-but-3-en-2-yl-2-[3-(difluoromethoxy)phenyl]morpholine-4-carboxamide (PubChem CID 75391109) has the molecular formula C16H20F2N2O3 and a molecular weight of 326.34 g/mol. Its IUPAC name is N-but-3-en-2-yl-2-[3-(difluoromethoxy)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-but-3-en-2-yl-2-[3-(difluoromethoxy)phenyl]morpholine-4-carboxamide
PubChem CID75391109
Molecular FormulaC16H20F2N2O3
Molecular Weight326.34 g/mol
Exact Mass326.14
IUPAC NameN-but-3-en-2-yl-2-[3-(difluoromethoxy)phenyl]morpholine-4-carboxamide
SMILESC=CC(C)NC(=O)N1CCOC(c2cccc(OC(F)F)c2)C1
InChIInChI=1S/C16H20F2N2O3/c1-3-11(2)19-16(21)20-7-8-22-14(10-20)12-5-4-6-13(9-12)23-15(17)18/h3-6,9,11,14-15H,1,7-8,10H2,2H3,(H,19,21)
InChIKeyRPMZUMGVUSXDHP-UHFFFAOYSA-N
XLogP2.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[3-(difluoromethoxy)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 126769237
2-[2-[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-2-oxoethyl]sulfanylacetic acid
CID 120551759
[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 75391940
2-[3-(difluoromethoxy)phenyl]-4-[1-(3-pyrrol-1-ylphenyl)ethenyl]morpholine
CID 156573181
[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 75391938
(2S)-2-amino-1-[(2S)-2-(3-methoxyphenyl)morpholin-4-yl]-3-methylbutan-1-one
CID 99852551
2-[3-(difluoromethoxy)phenyl]-4-[1-(furan-2-yl)ethyl]morpholine
CID 91650407
3-[[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]methyl]benzoic acid
CID 122029359
1-[4-[2-[3-(trifluoromethoxy)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166405335
(2R)-2-[3-(difluoromethoxy)phenyl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine
CID 124883718
(2R)-2-[3-(difluoromethoxy)phenyl]-4-(4,5-dimethylpyrimidin-2-yl)morpholine
CID 124736073
1-[2-[4-(difluoromethoxy)phenyl]morpholin-4-yl]-2-hydroxyethanone
CID 136545989

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-2-[3-(difluoromethoxy)phenyl]morpholine-4-carboxamide?
The IUPAC name of N-but-3-en-2-yl-2-[3-(difluoromethoxy)phenyl]morpholine-4-carboxamide (CID 75391109) is N-but-3-en-2-yl-2-[3-(difluoromethoxy)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-but-3-en-2-yl-2-[3-(difluoromethoxy)phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-but-3-en-2-yl-2-[3-(difluoromethoxy)phenyl]morpholine-4-carboxamide is C=CC(C)NC(=O)N1CCOC(c2cccc(OC(F)F)c2)C1.
What is the InChIKey of N-but-3-en-2-yl-2-[3-(difluoromethoxy)phenyl]morpholine-4-carboxamide?
The InChIKey is RPMZUMGVUSXDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O3/c1-3-11(2)19-16(21)20-7-8-22-14(10-20)12-5-4-6-13(9-12)23-15(17)18/h3-6,9,11,14-15H,1,7-8,10H2,2H3,(H,19,21).
What are the key properties of N-but-3-en-2-yl-2-[3-(difluoromethoxy)phenyl]morpholine-4-carboxamide?
N-but-3-en-2-yl-2-[3-(difluoromethoxy)phenyl]morpholine-4-carboxamide has a molecular weight of 326.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-2-[3-(difluoromethoxy)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 75391109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).