[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate

C23H29N3O5 — CID 7190632

IUPAC[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)NC(=O)NCc1ccccc1
InChIInChI=1S/C23H29N3O5/c27-19(26-22(30)25-12-15-4-2-1-3-5-15)14-31-20(28)13-24-21(29)23-9-16-6-17(10-23)8-18(7-16)11-23/h1-5,16-18H,6-14H2,(H,24,29)(H2,25,26,27,30)
InChIKeyIUOAUWQXPCOGCH-UHFFFAOYSA-N
MW427.50 g/mol
LogP1.89
Rot. Bonds7

About [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate

[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate (PubChem CID 7190632) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
PubChem CID7190632
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC Name[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)NC(=O)NCc1ccccc1
InChIInChI=1S/C23H29N3O5/c27-19(26-22(30)25-12-15-4-2-1-3-5-15)14-31-20(28)13-24-21(29)23-9-16-6-17(10-23)8-18(7-16)11-23/h1-5,16-18H,6-14H2,(H,24,29)(H2,25,26,27,30)
InChIKeyIUOAUWQXPCOGCH-UHFFFAOYSA-N
XLogP1.89
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)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-(benzylcarbamoylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 4024964
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3258718
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190629
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190874
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190949
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190863
[2-(methylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3667781
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3689491
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-phenylacetate
CID 7874624
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190927
[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 55465499
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethoxyacetate
CID 2563950

Frequently Asked Questions

What is the IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
The IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate (CID 7190632) is [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate.
What is the SMILES notation for [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
The canonical SMILES for [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate is O=C(COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)NC(=O)NCc1ccccc1.
What is the InChIKey of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
The InChIKey is IUOAUWQXPCOGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5/c27-19(26-22(30)25-12-15-4-2-1-3-5-15)14-31-20(28)13-24-21(29)23-9-16-6-17(10-23)8-18(7-16)11-23/h1-5,16-18H,6-14H2,(H,24,29)(H2,25,26,27,30).
What are the key properties of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate has a molecular weight of 427.50 g/mol, XLogP of 1.89, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate is sourced from PubChem (CID 7190632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).