[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate

C24H33N3O4 — CID 7603650

IUPAC[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESCN(C)c1ccc(NC(=O)COC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C24H33N3O4/c1-27(2)20-5-3-19(4-6-20)26-22(29)15-31-23(30)14-25-21(28)13-24-10-16-7-17(11-24)9-18(8-16)12-24/h3-6,16-18H,7-15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyOLCHXTCPVOCUSR-UHFFFAOYSA-N
MW427.55 g/mol
LogP2.96
Rot. Bonds8

About [2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate

[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate (PubChem CID 7603650) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is [2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate.

Molecular Properties

Compound Name[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
PubChem CID7603650
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESCN(C)c1ccc(NC(=O)COC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C24H33N3O4/c1-27(2)20-5-3-19(4-6-20)26-22(29)15-31-23(30)14-25-21(28)13-24-10-16-7-17(11-24)9-18(8-16)12-24/h3-6,16-18H,7-15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyOLCHXTCPVOCUSR-UHFFFAOYSA-N
XLogP2.96
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[2-(4-ethylanilino)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251677
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7360351
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 55309468
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7360297
[2-(4-fluorophenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251646
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190927
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251696
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 34779349
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 4790414
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755342
N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]phenyl]-2-methylpropanamide
CID 42123413
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 21174508

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The IUPAC name of [2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate (CID 7603650) is [2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate.
What is the SMILES notation for [2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The canonical SMILES for [2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate is CN(C)c1ccc(NC(=O)COC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of [2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The InChIKey is OLCHXTCPVOCUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-27(2)20-5-3-19(4-6-20)26-22(29)15-31-23(30)14-25-21(28)13-24-10-16-7-17(11-24)9-18(8-16)12-24/h3-6,16-18H,7-15H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of [2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate has a molecular weight of 427.55 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate is sourced from PubChem (CID 7603650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).