[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate

C25H34N2O4 — CID 55309757

IUPAC[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESCC(OC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C25H34N2O4/c1-17(24(30)27(2)16-18-6-4-3-5-7-18)31-23(29)15-26-22(28)14-25-11-19-8-20(12-25)10-21(9-19)13-25/h3-7,17,19-21H,8-16H2,1-2H3,(H,26,28)
InChIKeyQAOIZQOYTLVHKE-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.30
Rot. Bonds8

About [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate

[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate (PubChem CID 55309757) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate.

Molecular Properties

Compound Name[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
PubChem CID55309757
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC Name[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESCC(OC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C25H34N2O4/c1-17(24(30)27(2)16-18-6-4-3-5-7-18)31-23(29)15-26-22(28)14-25-11-19-8-20(12-25)10-21(9-19)13-25/h3-7,17,19-21H,8-16H2,1-2H3,(H,26,28)
InChIKeyQAOIZQOYTLVHKE-UHFFFAOYSA-N
XLogP3.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate with MolForge

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Related Compounds

[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7715777
[(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 8942936
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 7807993
2-(1-adamantyl)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]acetamide
CID 7809187
2-(1-adamantyl)-N-benzylacetamide
CID 3560004
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] (5S,7R)-3-chloroadamantane-1-carboxylate
CID 9271041
[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 55309702
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
CID 55320574
N-benzyl-2-methoxy-N-methylpropanamide
CID 112685507
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734547
2-(1-adamantyl)-N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 7779910
2-(1-adamantyl)-N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide
CID 7601493

Frequently Asked Questions

What is the IUPAC name of [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The IUPAC name of [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate (CID 55309757) is [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate.
What is the SMILES notation for [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The canonical SMILES for [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate is CC(OC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The InChIKey is QAOIZQOYTLVHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-17(24(30)27(2)16-18-6-4-3-5-7-18)31-23(29)15-26-22(28)14-25-11-19-8-20(12-25)10-21(9-19)13-25/h3-7,17,19-21H,8-16H2,1-2H3,(H,26,28).
What are the key properties of [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate has a molecular weight of 426.56 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate is sourced from PubChem (CID 55309757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).