N-(10-oxo-4-pentyl-11-propyl-2,4,5,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,6,8-tetraen-8-yl)propanamide

C19H27N5O2 — CID 56607514

IUPACN-(10-oxo-4-pentyl-11-propyl-2,4,5,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,6,8-tetraen-8-yl)propanamide
SMILESCCCCCn1[nH]cc2c(NC(=O)CC)c3c(=O)n(CCC)cc3nc21
InChIInChI=1S/C19H27N5O2/c1-4-7-8-10-24-18-13(11-20-24)17(22-15(25)6-3)16-14(21-18)12-23(9-5-2)19(16)26/h11-12,20H,4-10H2,1-3H3,(H,22,25)
InChIKeyJGQKEBCRHQVMRX-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.63
Rot. Bonds8

About N-(10-oxo-4-pentyl-11-propyl-2,4,5,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,6,8-tetraen-8-yl)propanamide

N-(10-oxo-4-pentyl-11-propyl-2,4,5,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,6,8-tetraen-8-yl)propanamide (PubChem CID 56607514) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(10-oxo-4-pentyl-11-propyl-2,4,5,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,6,8-tetraen-8-yl)propanamide.

Molecular Properties

Compound NameN-(10-oxo-4-pentyl-11-propyl-2,4,5,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,6,8-tetraen-8-yl)propanamide
PubChem CID56607514
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-(10-oxo-4-pentyl-11-propyl-2,4,5,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,6,8-tetraen-8-yl)propanamide
SMILESCCCCCn1[nH]cc2c(NC(=O)CC)c3c(=O)n(CCC)cc3nc21
InChIInChI=1S/C19H27N5O2/c1-4-7-8-10-24-18-13(11-20-24)17(22-15(25)6-3)16-14(21-18)12-23(9-5-2)19(16)26/h11-12,20H,4-10H2,1-3H3,(H,22,25)
InChIKeyJGQKEBCRHQVMRX-UHFFFAOYSA-N
XLogP3.63
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(10-oxo-4-pentyl-11-propyl-2,4,5,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,6,8-tetraen-8-yl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(10-oxo-4-pentyl-11-propyl-2,4,5,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,6,8-tetraen-8-yl)propanamide?
The IUPAC name of N-(10-oxo-4-pentyl-11-propyl-2,4,5,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,6,8-tetraen-8-yl)propanamide (CID 56607514) is N-(10-oxo-4-pentyl-11-propyl-2,4,5,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,6,8-tetraen-8-yl)propanamide.
What is the SMILES notation for N-(10-oxo-4-pentyl-11-propyl-2,4,5,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,6,8-tetraen-8-yl)propanamide?
The canonical SMILES for N-(10-oxo-4-pentyl-11-propyl-2,4,5,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,6,8-tetraen-8-yl)propanamide is CCCCCn1[nH]cc2c(NC(=O)CC)c3c(=O)n(CCC)cc3nc21.
What is the InChIKey of N-(10-oxo-4-pentyl-11-propyl-2,4,5,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,6,8-tetraen-8-yl)propanamide?
The InChIKey is JGQKEBCRHQVMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-4-7-8-10-24-18-13(11-20-24)17(22-15(25)6-3)16-14(21-18)12-23(9-5-2)19(16)26/h11-12,20H,4-10H2,1-3H3,(H,22,25).
What are the key properties of N-(10-oxo-4-pentyl-11-propyl-2,4,5,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,6,8-tetraen-8-yl)propanamide?
N-(10-oxo-4-pentyl-11-propyl-2,4,5,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,6,8-tetraen-8-yl)propanamide has a molecular weight of 357.46 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-oxo-4-pentyl-11-propyl-2,4,5,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,6,8-tetraen-8-yl)propanamide is sourced from PubChem (CID 56607514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).