4-(difluoromethoxy)-N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzamide

C17H24F2N2O3 — CID 56783436

IUPAC4-(difluoromethoxy)-N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1cc(C(=O)N(C)CCN2CCOCC2)cc(C)c1OC(F)F
InChIInChI=1S/C17H24F2N2O3/c1-12-10-14(11-13(2)15(12)24-17(18)19)16(22)20(3)4-5-21-6-8-23-9-7-21/h10-11,17H,4-9H2,1-3H3
InChIKeyIAQKYIWOCCHHFD-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.31
Rot. Bonds6

About 4-(difluoromethoxy)-N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzamide

4-(difluoromethoxy)-N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 56783436) has the molecular formula C17H24F2N2O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID56783436
Molecular FormulaC17H24F2N2O3
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC Name4-(difluoromethoxy)-N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1cc(C(=O)N(C)CCN2CCOCC2)cc(C)c1OC(F)F
InChIInChI=1S/C17H24F2N2O3/c1-12-10-14(11-13(2)15(12)24-17(18)19)16(22)20(3)4-5-21-6-8-23-9-7-21/h10-11,17H,4-9H2,1-3H3
InChIKeyIAQKYIWOCCHHFD-UHFFFAOYSA-N
XLogP2.31
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-iodo-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 163865741
3-bromo-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 110753209
3-acetamido-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 110752365
N,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 22954090
N-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 67379055
2-amino-N-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 83534311
(2S)-N,2-dimethyl-N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 126443915
N-methyl-2-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110753270
N-methyl-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 110752355
(2S)-2-(2,6-dimethylphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid
CID 97203147
1-[4-(difluoromethoxy)-2-methylphenyl]-3-(3-morpholin-4-ylpropyl)urea
CID 118782826
formic acid;N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide
CID 154909512

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzamide (CID 56783436) is 4-(difluoromethoxy)-N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzamide is Cc1cc(C(=O)N(C)CCN2CCOCC2)cc(C)c1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is IAQKYIWOCCHHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O3/c1-12-10-14(11-13(2)15(12)24-17(18)19)16(22)20(3)4-5-21-6-8-23-9-7-21/h10-11,17H,4-9H2,1-3H3.
What are the key properties of 4-(difluoromethoxy)-N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzamide?
4-(difluoromethoxy)-N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 342.39 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N,3,5-trimethyl-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 56783436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).