[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-methoxyacetate

C17H27NO4 — CID 4273830

IUPAC[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27NO4/c1-11(18-15(19)9-22-16(20)10-21-2)17-6-12-3-13(7-17)5-14(4-12)8-17/h11-14H,3-10H2,1-2H3,(H,18,19)
InChIKeyLZRGDNUEMRTTKD-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.90
Rot. Bonds6

About [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-methoxyacetate

[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-methoxyacetate (PubChem CID 4273830) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-methoxyacetate.

Molecular Properties

Compound Name[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-methoxyacetate
PubChem CID4273830
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Name[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27NO4/c1-11(18-15(19)9-22-16(20)10-21-2)17-6-12-3-13(7-17)5-14(4-12)8-17/h11-14H,3-10H2,1-2H3,(H,18,19)
InChIKeyLZRGDNUEMRTTKD-UHFFFAOYSA-N
XLogP1.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-methoxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(1-Adamantylamino)-2-oxoethyl] 2-ethoxyacetate
CID 3678363
[2-[1-(1-Adamantyl)ethylamino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 3549603
Ethyl {[1-(adamantan-1-yl)ethyl]amino}oxoacetate
CID 60894484
Ethyl {[2-(adamantan-2-yl)pentyl]amino}oxoacetate
CID 145722214
[2-(1-Adamantylamino)-2-oxoethyl] 3-acetamidopropanoate
CID 4878506
[2-[1-(1-Adamantyl)ethylamino]-2-oxoethyl] cyclopropanecarboxylate
CID 16300451
2-[2-(Adamantane-1-carbonylamino)ethoxy]acetic acid
CID 2755409
2-[2-(2-Adamantylamino)-2-oxoethoxy]acetic acid
CID 20285861
2-methoxycarbonylmethoxyacetic acid N-[2-(1-adamantyl) ethyl]-N-pentylamide
CID 57481273
2-[2-[[2-(1-Adamantyl)acetyl]amino]ethoxy]acetic acid
CID 79468467
Magnesium bis(2-[2-(2-adamantylamino)-2-oxoethoxy]acetate)
CID 140330819
2-[2-[2-[2-[[2-(1-Adamantyl)acetyl]amino]ethoxy]ethoxy]ethoxy]acetic acid
CID 148438406

Frequently Asked Questions

What is the IUPAC name of [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-methoxyacetate?
The IUPAC name of [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-methoxyacetate (CID 4273830) is [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-methoxyacetate.
What is the SMILES notation for [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-methoxyacetate?
The canonical SMILES for [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-methoxyacetate is COCC(=O)OCC(=O)NC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-methoxyacetate?
The InChIKey is LZRGDNUEMRTTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4/c1-11(18-15(19)9-22-16(20)10-21-2)17-6-12-3-13(7-17)5-14(4-12)8-17/h11-14H,3-10H2,1-2H3,(H,18,19).
What are the key properties of [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-methoxyacetate?
[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-methoxyacetate has a molecular weight of 309.41 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-methoxyacetate is sourced from PubChem (CID 4273830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).