[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate

C24H32N2O4 — CID 7190949

IUPAC[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
SMILESCCN(Cc1ccccc1)C(=O)COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H32N2O4/c1-2-26(15-17-6-4-3-5-7-17)21(27)16-30-22(28)14-25-23(29)24-11-18-8-19(12-24)10-20(9-18)13-24/h3-7,18-20H,2,8-16H2,1H3,(H,25,29)
InChIKeyDTFKPUZOSREJGG-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.91
Rot. Bonds8

About [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate

[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate (PubChem CID 7190949) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate.

Molecular Properties

Compound Name[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
PubChem CID7190949
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
SMILESCCN(Cc1ccccc1)C(=O)COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H32N2O4/c1-2-26(15-17-6-4-3-5-7-17)21(27)16-30-22(28)14-25-23(29)24-11-18-8-19(12-24)10-20(9-18)13-24/h3-7,18-20H,2,8-16H2,1H3,(H,25,29)
InChIKeyDTFKPUZOSREJGG-UHFFFAOYSA-N
XLogP2.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190632
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 18267738
1-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119750868
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190589
(4-methylphenyl)methyl 2-(adamantane-1-carbonylamino)acetate
CID 7190613
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734310
[2-(methylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3667781
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190629
3-(1-adamantyl)-1-benzyl-1-ethylurea
CID 108896014
[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 24653006
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190874
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 71822913

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
The IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate (CID 7190949) is [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate.
What is the SMILES notation for [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
The canonical SMILES for [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate is CCN(Cc1ccccc1)C(=O)COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
The InChIKey is DTFKPUZOSREJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-2-26(15-17-6-4-3-5-7-17)21(27)16-30-22(28)14-25-23(29)24-11-18-8-19(12-24)10-20(9-18)13-24/h3-7,18-20H,2,8-16H2,1H3,(H,25,29).
What are the key properties of [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate has a molecular weight of 412.53 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate is sourced from PubChem (CID 7190949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).