N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C20H20F2N2O5 — CID 32755093

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCOc1cc(CN(C)C(=O)CCn2c(=O)oc3ccccc32)ccc1OC(F)F
InChIInChI=1S/C20H20F2N2O5/c1-23(12-13-7-8-16(28-19(21)22)17(11-13)27-2)18(25)9-10-24-14-5-3-4-6-15(14)29-20(24)26/h3-8,11,19H,9-10,12H2,1-2H3
InChIKeyMNJHVLMBNPFFFF-UHFFFAOYSA-N
MW406.39 g/mol
LogP3.25
Rot. Bonds8

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 32755093) has the molecular formula C20H20F2N2O5 and a molecular weight of 406.39 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID32755093
Molecular FormulaC20H20F2N2O5
Molecular Weight406.39 g/mol
Exact Mass406.13
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCOc1cc(CN(C)C(=O)CCn2c(=O)oc3ccccc32)ccc1OC(F)F
InChIInChI=1S/C20H20F2N2O5/c1-23(12-13-7-8-16(28-19(21)22)17(11-13)27-2)18(25)9-10-24-14-5-3-4-6-15(14)29-20(24)26/h3-8,11,19H,9-10,12H2,1-2H3
InChIKeyMNJHVLMBNPFFFF-UHFFFAOYSA-N
XLogP3.25
TPSA73.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 32757922
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 51201343
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,1-dimethyl-2-oxoquinoline-4-carboxamide
CID 55754801
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 55413062
N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 9228097
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18113379
N-[(3-chlorophenyl)methyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18081180
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-N',N'-dipropylpentanediamide
CID 56550163
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-hydroxy-N-methylbenzamide
CID 31153420
2-(2-cyanophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylacetamide
CID 27781034
5-bromo-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 27781128
[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate
CID 55459245

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 32755093) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is COc1cc(CN(C)C(=O)CCn2c(=O)oc3ccccc32)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is MNJHVLMBNPFFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O5/c1-23(12-13-7-8-16(28-19(21)22)17(11-13)27-2)18(25)9-10-24-14-5-3-4-6-15(14)29-20(24)26/h3-8,11,19H,9-10,12H2,1-2H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 406.39 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 32755093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).