2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(ethylcarbamoyl)acetamide

C14H19F2N3O3 — CID 9023545

IUPAC2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CN(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H19F2N3O3/c1-3-17-14(21)18-12(20)9-19(2)8-10-4-6-11(7-5-10)22-13(15)16/h4-7,13H,3,8-9H2,1-2H3,(H2,17,18,20,21)
InChIKeyGIPVLNFCJBWZMT-UHFFFAOYSA-N
MW315.32 g/mol
LogP1.57
Rot. Bonds7

About 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(ethylcarbamoyl)acetamide

2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(ethylcarbamoyl)acetamide (PubChem CID 9023545) has the molecular formula C14H19F2N3O3 and a molecular weight of 315.32 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(ethylcarbamoyl)acetamide
PubChem CID9023545
Molecular FormulaC14H19F2N3O3
Molecular Weight315.32 g/mol
Exact Mass315.14
IUPAC Name2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CN(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H19F2N3O3/c1-3-17-14(21)18-12(20)9-19(2)8-10-4-6-11(7-5-10)22-13(15)16/h4-7,13H,3,8-9H2,1-2H3,(H2,17,18,20,21)
InChIKeyGIPVLNFCJBWZMT-UHFFFAOYSA-N
XLogP1.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(ethylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028269
N-(cyclopropylmethyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 134038489
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide
CID 9023931
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(4-iodophenyl)acetamide
CID 27218169
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol
CID 110901993
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 27204242
N-(2-bromophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 9024086
2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide
CID 9251739
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 33457323
N-[4-(cyanomethyl)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 9042633
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 9023731
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-naphthalen-2-ylacetamide
CID 9023955

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(ethylcarbamoyl)acetamide (CID 9023545) is 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(ethylcarbamoyl)acetamide is CCNC(=O)NC(=O)CN(C)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(ethylcarbamoyl)acetamide?
The InChIKey is GIPVLNFCJBWZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O3/c1-3-17-14(21)18-12(20)9-19(2)8-10-4-6-11(7-5-10)22-13(15)16/h4-7,13H,3,8-9H2,1-2H3,(H2,17,18,20,21).
What are the key properties of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(ethylcarbamoyl)acetamide?
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(ethylcarbamoyl)acetamide has a molecular weight of 315.32 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 9023545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).