2-(1,4-diazepan-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

C17H31N3O — CID 62837382

IUPAC2-(1,4-diazepan-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)CN1CCCNCC1)C2
InChIInChI=1S/C17H31N3O/c1-16(2)13-5-6-17(16,3)14(11-13)19-15(21)12-20-9-4-7-18-8-10-20/h13-14,18H,4-12H2,1-3H3,(H,19,21)
InChIKeyZNRIFJCNKWPFQW-UHFFFAOYSA-N
MW293.46 g/mol
LogP1.61
Rot. Bonds3

About 2-(1,4-diazepan-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

2-(1,4-diazepan-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 62837382) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID62837382
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name2-(1,4-diazepan-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)CN1CCCNCC1)C2
InChIInChI=1S/C17H31N3O/c1-16(2)13-5-6-17(16,3)14(11-13)19-15(21)12-20-9-4-7-18-8-10-20/h13-14,18H,4-12H2,1-3H3,(H,19,21)
InChIKeyZNRIFJCNKWPFQW-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1,4-diazepan-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide 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 2-(1,4-diazepan-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (CID 62837382) is 2-(1,4-diazepan-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is CC1(C)C2CCC1(C)C(NC(=O)CN1CCCNCC1)C2.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is ZNRIFJCNKWPFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-16(2)13-5-6-17(16,3)14(11-13)19-15(21)12-20-9-4-7-18-8-10-20/h13-14,18H,4-12H2,1-3H3,(H,19,21).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
2-(1,4-diazepan-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 293.46 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 62837382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).