1-N,1-N,3-N,3-N-tetraethyladamantane-1,3-dicarboxamide

C20H34N2O2 — CID 2881961

IUPAC1-N,1-N,3-N,3-N-tetraethyladamantane-1,3-dicarboxamide
SMILESCCN(CC)C(=O)C12CC3CC(C1)CC(C(=O)N(CC)CC)(C3)C2
InChIInChI=1S/C20H34N2O2/c1-5-21(6-2)17(23)19-10-15-9-16(11-19)13-20(12-15,14-19)18(24)22(7-3)8-4/h15-16H,5-14H2,1-4H3
InChIKeyFIUMQRXWYXDKAS-UHFFFAOYSA-N
MW334.50 g/mol
LogP3.31
Rot. Bonds6

About 1-N,1-N,3-N,3-N-tetraethyladamantane-1,3-dicarboxamide

1-N,1-N,3-N,3-N-tetraethyladamantane-1,3-dicarboxamide (PubChem CID 2881961) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is 1-N,1-N,3-N,3-N-tetraethyladamantane-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N,3-N,3-N-tetraethyladamantane-1,3-dicarboxamide
PubChem CID2881961
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name1-N,1-N,3-N,3-N-tetraethyladamantane-1,3-dicarboxamide
SMILESCCN(CC)C(=O)C12CC3CC(C1)CC(C(=O)N(CC)CC)(C3)C2
InChIInChI=1S/C20H34N2O2/c1-5-21(6-2)17(23)19-10-15-9-16(11-19)13-20(12-15,14-19)18(24)22(7-3)8-4/h15-16H,5-14H2,1-4H3
InChIKeyFIUMQRXWYXDKAS-UHFFFAOYSA-N
XLogP3.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-N,1-N,3-N,3-N-tetraethyladamantane-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N,3-N-tetraethyladamantane-1,3-dicarboxamide?
The IUPAC name of 1-N,1-N,3-N,3-N-tetraethyladamantane-1,3-dicarboxamide (CID 2881961) is 1-N,1-N,3-N,3-N-tetraethyladamantane-1,3-dicarboxamide.
What is the SMILES notation for 1-N,1-N,3-N,3-N-tetraethyladamantane-1,3-dicarboxamide?
The canonical SMILES for 1-N,1-N,3-N,3-N-tetraethyladamantane-1,3-dicarboxamide is CCN(CC)C(=O)C12CC3CC(C1)CC(C(=O)N(CC)CC)(C3)C2.
What is the InChIKey of 1-N,1-N,3-N,3-N-tetraethyladamantane-1,3-dicarboxamide?
The InChIKey is FIUMQRXWYXDKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-5-21(6-2)17(23)19-10-15-9-16(11-19)13-20(12-15,14-19)18(24)22(7-3)8-4/h15-16H,5-14H2,1-4H3.
What are the key properties of 1-N,1-N,3-N,3-N-tetraethyladamantane-1,3-dicarboxamide?
1-N,1-N,3-N,3-N-tetraethyladamantane-1,3-dicarboxamide has a molecular weight of 334.50 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N,3-N-tetraethyladamantane-1,3-dicarboxamide is sourced from PubChem (CID 2881961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).