1-N,3-N,5-N-trimethyladamantane-1,3,5-tricarboxamide

C16H25N3O3 — CID 177137615

IUPAC1-N,3-N,5-N-trimethyladamantane-1,3,5-tricarboxamide
SMILESCNC(=O)C12CC3CC(C(=O)NC)(C1)CC(C(=O)NC)(C3)C2
InChIInChI=1S/C16H25N3O3/c1-17-11(20)14-4-10-5-15(7-14,12(21)18-2)9-16(6-10,8-14)13(22)19-3/h10H,4-9H2,1-3H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyVFOZOYWXWUDQMT-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.18
Rot. Bonds3

About 1-N,3-N,5-N-trimethyladamantane-1,3,5-tricarboxamide

1-N,3-N,5-N-trimethyladamantane-1,3,5-tricarboxamide (PubChem CID 177137615) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-N,3-N,5-N-trimethyladamantane-1,3,5-tricarboxamide.

Molecular Properties

Compound Name1-N,3-N,5-N-trimethyladamantane-1,3,5-tricarboxamide
PubChem CID177137615
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name1-N,3-N,5-N-trimethyladamantane-1,3,5-tricarboxamide
SMILESCNC(=O)C12CC3CC(C(=O)NC)(C1)CC(C(=O)NC)(C3)C2
InChIInChI=1S/C16H25N3O3/c1-17-11(20)14-4-10-5-15(7-14,12(21)18-2)9-16(6-10,8-14)13(22)19-3/h10H,4-9H2,1-3H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyVFOZOYWXWUDQMT-UHFFFAOYSA-N
XLogP0.18
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-N,3-N,5-N-trimethyladamantane-1,3,5-tricarboxamide 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,3-N,5-N-trimethyladamantane-1,3,5-tricarboxamide?
The IUPAC name of 1-N,3-N,5-N-trimethyladamantane-1,3,5-tricarboxamide (CID 177137615) is 1-N,3-N,5-N-trimethyladamantane-1,3,5-tricarboxamide.
What is the SMILES notation for 1-N,3-N,5-N-trimethyladamantane-1,3,5-tricarboxamide?
The canonical SMILES for 1-N,3-N,5-N-trimethyladamantane-1,3,5-tricarboxamide is CNC(=O)C12CC3CC(C(=O)NC)(C1)CC(C(=O)NC)(C3)C2.
What is the InChIKey of 1-N,3-N,5-N-trimethyladamantane-1,3,5-tricarboxamide?
The InChIKey is VFOZOYWXWUDQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-17-11(20)14-4-10-5-15(7-14,12(21)18-2)9-16(6-10,8-14)13(22)19-3/h10H,4-9H2,1-3H3,(H,17,20)(H,18,21)(H,19,22).
What are the key properties of 1-N,3-N,5-N-trimethyladamantane-1,3,5-tricarboxamide?
1-N,3-N,5-N-trimethyladamantane-1,3,5-tricarboxamide has a molecular weight of 307.39 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,5-N-trimethyladamantane-1,3,5-tricarboxamide is sourced from PubChem (CID 177137615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).