[2-(1-adamantylmethylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate

C23H30N2O4 — CID 9363782

IUPAC[2-(1-adamantylmethylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
SMILESCc1cccc(C(=O)NCC(=O)OCC(=O)NCC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C23H30N2O4/c1-15-3-2-4-19(5-15)22(28)24-12-21(27)29-13-20(26)25-14-23-9-16-6-17(10-23)8-18(7-16)11-23/h2-5,16-18H,6-14H2,1H3,(H,24,28)(H,25,26)
InChIKeyLQKJDJJOTZEZGX-UHFFFAOYSA-N
MW398.50 g/mol
LogP2.60
Rot. Bonds7

About [2-(1-adamantylmethylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate

[2-(1-adamantylmethylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate (PubChem CID 9363782) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is [2-(1-adamantylmethylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(1-adamantylmethylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
PubChem CID9363782
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name[2-(1-adamantylmethylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
SMILESCc1cccc(C(=O)NCC(=O)OCC(=O)NCC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C23H30N2O4/c1-15-3-2-4-19(5-15)22(28)24-12-21(27)29-13-20(26)25-14-23-9-16-6-17(10-23)8-18(7-16)11-23/h2-5,16-18H,6-14H2,1H3,(H,24,28)(H,25,26)
InChIKeyLQKJDJJOTZEZGX-UHFFFAOYSA-N
XLogP2.60
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(1-adamantylmethylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate 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-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 24980263
[2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364084
[2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363764
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 46789752
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363665
methyl 4-methyl-2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]pentanoate
CID 46613942
[2-(1-adamantylamino)-2-oxoethyl] 2-benzamidoacetate
CID 4802592
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 34328308
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363758
[2-(1-adamantylmethylamino)-2-oxoethyl] 3-(methoxymethyl)benzoate
CID 9065231
methyl 4-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]benzoate
CID 9364094
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 40676131

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylmethylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate?
The IUPAC name of [2-(1-adamantylmethylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate (CID 9363782) is [2-(1-adamantylmethylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate.
What is the SMILES notation for [2-(1-adamantylmethylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate?
The canonical SMILES for [2-(1-adamantylmethylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate is Cc1cccc(C(=O)NCC(=O)OCC(=O)NCC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of [2-(1-adamantylmethylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate?
The InChIKey is LQKJDJJOTZEZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-15-3-2-4-19(5-15)22(28)24-12-21(27)29-13-20(26)25-14-23-9-16-6-17(10-23)8-18(7-16)11-23/h2-5,16-18H,6-14H2,1H3,(H,24,28)(H,25,26).
What are the key properties of [2-(1-adamantylmethylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate?
[2-(1-adamantylmethylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate has a molecular weight of 398.50 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylmethylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate is sourced from PubChem (CID 9363782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).