[2-(1-adamantylmethylamino)-2-oxoethyl] 2-naphthalen-1-yloxyacetate

C25H29NO4 — CID 7995702

IUPAC[2-(1-adamantylmethylamino)-2-oxoethyl] 2-naphthalen-1-yloxyacetate
SMILESO=C(COC(=O)COc1cccc2ccccc12)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H29NO4/c27-23(26-16-25-11-17-8-18(12-25)10-19(9-17)13-25)14-30-24(28)15-29-22-7-3-5-20-4-1-2-6-21(20)22/h1-7,17-19H,8-16H2,(H,26,27)
InChIKeyKTGOBXUXYYWCTC-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.09
Rot. Bonds7

About [2-(1-adamantylmethylamino)-2-oxoethyl] 2-naphthalen-1-yloxyacetate

[2-(1-adamantylmethylamino)-2-oxoethyl] 2-naphthalen-1-yloxyacetate (PubChem CID 7995702) has the molecular formula C25H29NO4 and a molecular weight of 407.51 g/mol. Its IUPAC name is [2-(1-adamantylmethylamino)-2-oxoethyl] 2-naphthalen-1-yloxyacetate.

Molecular Properties

Compound Name[2-(1-adamantylmethylamino)-2-oxoethyl] 2-naphthalen-1-yloxyacetate
PubChem CID7995702
Molecular FormulaC25H29NO4
Molecular Weight407.51 g/mol
Exact Mass407.21
IUPAC Name[2-(1-adamantylmethylamino)-2-oxoethyl] 2-naphthalen-1-yloxyacetate
SMILESO=C(COC(=O)COc1cccc2ccccc12)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H29NO4/c27-23(26-16-25-11-17-8-18(12-25)10-19(9-17)13-25)14-30-24(28)15-29-22-7-3-5-20-4-1-2-6-21(20)22/h1-7,17-19H,8-16H2,(H,26,27)
InChIKeyKTGOBXUXYYWCTC-UHFFFAOYSA-N
XLogP4.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(1-adamantylmethylamino)-2-oxoethyl] 2-naphthalen-1-yloxyacetate 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-adamantylmethylamino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7355098
(2-benzamido-2-oxoethyl) 2-naphthalen-1-yloxyacetate
CID 35862747
[2-(1-adamantylamino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844599
[2-(1-adamantylmethylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363782
[2-(1-adamantylmethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 8013755
[2-(1-adamantylmethylamino)-2-oxoethyl] 4-phenoxybenzoate
CID 7859627
[2-(1-adamantylmethylamino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833521
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-naphthalen-1-yloxyacetate
CID 3461875
[2-(1-adamantylmethylamino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8550624
[2-(1-adamantylmethylamino)-2-oxoethyl] pyridine-4-carboxylate
CID 7478107
[2-(1-adamantyl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8573277
[2-(1-adamantylmethylamino)-2-oxoethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 7861632

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylmethylamino)-2-oxoethyl] 2-naphthalen-1-yloxyacetate?
The IUPAC name of [2-(1-adamantylmethylamino)-2-oxoethyl] 2-naphthalen-1-yloxyacetate (CID 7995702) is [2-(1-adamantylmethylamino)-2-oxoethyl] 2-naphthalen-1-yloxyacetate.
What is the SMILES notation for [2-(1-adamantylmethylamino)-2-oxoethyl] 2-naphthalen-1-yloxyacetate?
The canonical SMILES for [2-(1-adamantylmethylamino)-2-oxoethyl] 2-naphthalen-1-yloxyacetate is O=C(COC(=O)COc1cccc2ccccc12)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-(1-adamantylmethylamino)-2-oxoethyl] 2-naphthalen-1-yloxyacetate?
The InChIKey is KTGOBXUXYYWCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO4/c27-23(26-16-25-11-17-8-18(12-25)10-19(9-17)13-25)14-30-24(28)15-29-22-7-3-5-20-4-1-2-6-21(20)22/h1-7,17-19H,8-16H2,(H,26,27).
What are the key properties of [2-(1-adamantylmethylamino)-2-oxoethyl] 2-naphthalen-1-yloxyacetate?
[2-(1-adamantylmethylamino)-2-oxoethyl] 2-naphthalen-1-yloxyacetate has a molecular weight of 407.51 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylmethylamino)-2-oxoethyl] 2-naphthalen-1-yloxyacetate is sourced from PubChem (CID 7995702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).