N-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]acetamide

C18H23N5O — CID 58395158

IUPACN-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]acetamide
SMILESCC(=O)NCCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
InChIInChI=1S/C18H23N5O/c1-12(24)19-10-8-16-22-15-11-21-18-14(7-9-20-18)17(15)23(16)13-5-3-2-4-6-13/h7,9,11,13H,2-6,8,10H2,1H3,(H,19,24)(H,20,21)
InChIKeyUHTWPLFZGVNSMN-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.10
Rot. Bonds4

About N-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]acetamide

N-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]acetamide (PubChem CID 58395158) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]acetamide
PubChem CID58395158
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]acetamide
SMILESCC(=O)NCCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
InChIInChI=1S/C18H23N5O/c1-12(24)19-10-8-16-22-15-11-21-18-14(7-9-20-18)17(15)23(16)13-5-3-2-4-6-13/h7,9,11,13H,2-6,8,10H2,1H3,(H,19,24)(H,20,21)
InChIKeyUHTWPLFZGVNSMN-UHFFFAOYSA-N
XLogP3.10
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]acetamide?
The IUPAC name of N-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]acetamide (CID 58395158) is N-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]acetamide is CC(=O)NCCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1.
What is the InChIKey of N-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]acetamide?
The InChIKey is UHTWPLFZGVNSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-12(24)19-10-8-16-22-15-11-21-18-14(7-9-20-18)17(15)23(16)13-5-3-2-4-6-13/h7,9,11,13H,2-6,8,10H2,1H3,(H,19,24)(H,20,21).
What are the key properties of N-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]acetamide?
N-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]acetamide has a molecular weight of 325.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]acetamide is sourced from PubChem (CID 58395158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).