2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide

C23H29F2N3O3 — CID 55501590

IUPAC2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
SMILESCNC(=O)C(NC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccc(F)c(F)c1
InChIInChI=1S/C23H29F2N3O3/c1-26-22(31)21(16-2-3-17(24)18(25)7-16)28-20(30)12-27-19(29)11-23-8-13-4-14(9-23)6-15(5-13)10-23/h2-3,7,13-15,21H,4-6,8-12H2,1H3,(H,26,31)(H,27,29)(H,28,30)
InChIKeyMYZRVNIMDPOMOT-UHFFFAOYSA-N
MW433.50 g/mol
LogP2.59
Rot. Bonds7

About 2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide

2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide (PubChem CID 55501590) has the molecular formula C23H29F2N3O3 and a molecular weight of 433.50 g/mol. Its IUPAC name is 2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
PubChem CID55501590
Molecular FormulaC23H29F2N3O3
Molecular Weight433.50 g/mol
Exact Mass433.22
IUPAC Name2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
SMILESCNC(=O)C(NC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccc(F)c(F)c1
InChIInChI=1S/C23H29F2N3O3/c1-26-22(31)21(16-2-3-17(24)18(25)7-16)28-20(30)12-27-19(29)11-23-8-13-4-14(9-23)6-15(5-13)10-23/h2-3,7,13-15,21H,4-6,8-12H2,1H3,(H,26,31)(H,27,29)(H,28,30)
InChIKeyMYZRVNIMDPOMOT-UHFFFAOYSA-N
XLogP2.59
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide
CID 134051678
2-(1-adamantyl)-N-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]acetamide
CID 9221124
3-chloro-N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 134051673
2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-phenylacetamide
CID 51315386
N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]phenyl]-2-methylpropanamide
CID 42123413
2-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]phenyl]-N-methylacetamide
CID 38404079
4-butoxy-N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 55483855
(2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]propanoic acid
CID 119369903
2-(3,4-difluorophenyl)-2-[[2-(4-iodophenoxy)acetyl]amino]-N-methylacetamide
CID 55502598
2-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
CID 55501868
2-(1-adamantyl)-N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]acetamide
CID 55948108
2-(3,4-difluorophenyl)-N-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetamide
CID 78834515

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide?
The IUPAC name of 2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide (CID 55501590) is 2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide.
What is the SMILES notation for 2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide?
The canonical SMILES for 2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide is CNC(=O)C(NC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide?
The InChIKey is MYZRVNIMDPOMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N3O3/c1-26-22(31)21(16-2-3-17(24)18(25)7-16)28-20(30)12-27-19(29)11-23-8-13-4-14(9-23)6-15(5-13)10-23/h2-3,7,13-15,21H,4-6,8-12H2,1H3,(H,26,31)(H,27,29)(H,28,30).
What are the key properties of 2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide?
2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide has a molecular weight of 433.50 g/mol, XLogP of 2.59, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide is sourced from PubChem (CID 55501590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).