N-[2-(difluoromethoxy)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide

C15H21F2N3O3 — CID 8912661

IUPACN-[2-(difluoromethoxy)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
SMILESCC(C)NC(=O)CN(C)CC(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C15H21F2N3O3/c1-10(2)18-13(21)8-20(3)9-14(22)19-11-6-4-5-7-12(11)23-15(16)17/h4-7,10,15H,8-9H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyGWSFCNYBXQQXJQ-UHFFFAOYSA-N
MW329.35 g/mol
LogP1.68
Rot. Bonds8

About N-[2-(difluoromethoxy)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide

N-[2-(difluoromethoxy)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide (PubChem CID 8912661) has the molecular formula C15H21F2N3O3 and a molecular weight of 329.35 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
PubChem CID8912661
Molecular FormulaC15H21F2N3O3
Molecular Weight329.35 g/mol
Exact Mass329.16
IUPAC NameN-[2-(difluoromethoxy)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
SMILESCC(C)NC(=O)CN(C)CC(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C15H21F2N3O3/c1-10(2)18-13(21)8-20(3)9-14(22)19-11-6-4-5-7-12(11)23-15(16)17/h4-7,10,15H,8-9H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyGWSFCNYBXQQXJQ-UHFFFAOYSA-N
XLogP1.68
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 34115631
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9049169
N-[2-(difluoromethoxy)phenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 8594676
2-[benzyl(ethyl)amino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 29231169
2-(benzenesulfonyl)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 112779682
N-[2-(cyanomethylsulfanyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9050056
N-[2-(difluoromethoxy)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 78991445
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyphenoxy)acetamide
CID 7941491
2-[[2-(2-methoxyphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 60681671
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422
2-cyclohexyl-N-[2-(difluoromethoxy)phenyl]acetamide
CID 112793238
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(4-phenoxyphenyl)acetamide
CID 9049215

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide (CID 8912661) is N-[2-(difluoromethoxy)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide is CC(C)NC(=O)CN(C)CC(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
The InChIKey is GWSFCNYBXQQXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O3/c1-10(2)18-13(21)8-20(3)9-14(22)19-11-6-4-5-7-12(11)23-15(16)17/h4-7,10,15H,8-9H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
N-[2-(difluoromethoxy)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide has a molecular weight of 329.35 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide is sourced from PubChem (CID 8912661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).