[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate

C25H33N3O5 — CID 55309702

IUPAC[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESCCNC(=O)NC(=O)C(OC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C25H33N3O5/c1-2-26-24(32)28-23(31)22(19-6-4-3-5-7-19)33-21(30)15-27-20(29)14-25-11-16-8-17(12-25)10-18(9-16)13-25/h3-7,16-18,22H,2,8-15H2,1H3,(H,27,29)(H2,26,28,31,32)
InChIKeyDXPMIKYXRAKXDQ-UHFFFAOYSA-N
MW455.56 g/mol
LogP2.84
Rot. Bonds8

About [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate

[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate (PubChem CID 55309702) has the molecular formula C25H33N3O5 and a molecular weight of 455.56 g/mol. Its IUPAC name is [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate.

Molecular Properties

Compound Name[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
PubChem CID55309702
Molecular FormulaC25H33N3O5
Molecular Weight455.56 g/mol
Exact Mass455.24
IUPAC Name[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESCCNC(=O)NC(=O)C(OC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C25H33N3O5/c1-2-26-24(32)28-23(31)22(19-6-4-3-5-7-19)33-21(30)15-27-20(29)14-25-11-16-8-17(12-25)10-18(9-16)13-25/h3-7,16-18,22H,2,8-15H2,1H3,(H,27,29)(H2,26,28,31,32)
InChIKeyDXPMIKYXRAKXDQ-UHFFFAOYSA-N
XLogP2.84
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The IUPAC name of [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate (CID 55309702) is [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate.
What is the SMILES notation for [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The canonical SMILES for [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate is CCNC(=O)NC(=O)C(OC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1.
What is the InChIKey of [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The InChIKey is DXPMIKYXRAKXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5/c1-2-26-24(32)28-23(31)22(19-6-4-3-5-7-19)33-21(30)15-27-20(29)14-25-11-16-8-17(12-25)10-18(9-16)13-25/h3-7,16-18,22H,2,8-15H2,1H3,(H,27,29)(H2,26,28,31,32).
What are the key properties of [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate has a molecular weight of 455.56 g/mol, XLogP of 2.84, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate is sourced from PubChem (CID 55309702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).