2,2-dimethyl-N-[4-(12-oxo-10-azabicyclo[7.3.2]tetradecan-11-yl)butyl]propanamide

C22H40N2O2 — CID 167295961

IUPAC2,2-dimethyl-N-[4-(12-oxo-10-azabicyclo[7.3.2]tetradecan-11-yl)butyl]propanamide
SMILESCC(C)(C)C(=O)NCCCCC1NC2CCCCCCCC(CC2)C1=O
InChIInChI=1S/C22H40N2O2/c1-22(2,3)21(26)23-16-10-9-13-19-20(25)17-11-7-5-4-6-8-12-18(24-19)15-14-17/h17-19,24H,4-16H2,1-3H3,(H,23,26)
InChIKeyAGBRYIMVZNDLKR-UHFFFAOYSA-N
MW364.57 g/mol
LogP4.37
Rot. Bonds5

About 2,2-dimethyl-N-[4-(12-oxo-10-azabicyclo[7.3.2]tetradecan-11-yl)butyl]propanamide

2,2-dimethyl-N-[4-(12-oxo-10-azabicyclo[7.3.2]tetradecan-11-yl)butyl]propanamide (PubChem CID 167295961) has the molecular formula C22H40N2O2 and a molecular weight of 364.57 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(12-oxo-10-azabicyclo[7.3.2]tetradecan-11-yl)butyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(12-oxo-10-azabicyclo[7.3.2]tetradecan-11-yl)butyl]propanamide
PubChem CID167295961
Molecular FormulaC22H40N2O2
Molecular Weight364.57 g/mol
Exact Mass364.31
IUPAC Name2,2-dimethyl-N-[4-(12-oxo-10-azabicyclo[7.3.2]tetradecan-11-yl)butyl]propanamide
SMILESCC(C)(C)C(=O)NCCCCC1NC2CCCCCCCC(CC2)C1=O
InChIInChI=1S/C22H40N2O2/c1-22(2,3)21(26)23-16-10-9-13-19-20(25)17-11-7-5-4-6-8-12-18(24-19)15-14-17/h17-19,24H,4-16H2,1-3H3,(H,23,26)
InChIKeyAGBRYIMVZNDLKR-UHFFFAOYSA-N
XLogP4.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.57
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(12-oxo-10-azabicyclo[7.3.2]tetradecan-11-yl)butyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-(12-oxo-10-azabicyclo[7.3.2]tetradecan-11-yl)butyl]propanamide (CID 167295961) is 2,2-dimethyl-N-[4-(12-oxo-10-azabicyclo[7.3.2]tetradecan-11-yl)butyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(12-oxo-10-azabicyclo[7.3.2]tetradecan-11-yl)butyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(12-oxo-10-azabicyclo[7.3.2]tetradecan-11-yl)butyl]propanamide is CC(C)(C)C(=O)NCCCCC1NC2CCCCCCCC(CC2)C1=O.
What is the InChIKey of 2,2-dimethyl-N-[4-(12-oxo-10-azabicyclo[7.3.2]tetradecan-11-yl)butyl]propanamide?
The InChIKey is AGBRYIMVZNDLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O2/c1-22(2,3)21(26)23-16-10-9-13-19-20(25)17-11-7-5-4-6-8-12-18(24-19)15-14-17/h17-19,24H,4-16H2,1-3H3,(H,23,26).
What are the key properties of 2,2-dimethyl-N-[4-(12-oxo-10-azabicyclo[7.3.2]tetradecan-11-yl)butyl]propanamide?
2,2-dimethyl-N-[4-(12-oxo-10-azabicyclo[7.3.2]tetradecan-11-yl)butyl]propanamide has a molecular weight of 364.57 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(12-oxo-10-azabicyclo[7.3.2]tetradecan-11-yl)butyl]propanamide is sourced from PubChem (CID 167295961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).