4,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide

C18H30N2O3 — CID 2928778

IUPAC4,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)NCCCN3CCOCC3)(CC1=O)C2(C)C
InChIInChI=1S/C18H30N2O3/c1-16(2)17(3)5-6-18(16,13-14(17)21)15(22)19-7-4-8-20-9-11-23-12-10-20/h4-13H2,1-3H3,(H,19,22)
InChIKeySYBVAYYARAAZTJ-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.61
Rot. Bonds5

About 4,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide

4,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 2928778) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 4,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name4,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID2928778
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name4,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)NCCCN3CCOCC3)(CC1=O)C2(C)C
InChIInChI=1S/C18H30N2O3/c1-16(2)17(3)5-6-18(16,13-14(17)21)15(22)19-7-4-8-20-9-11-23-12-10-20/h4-13H2,1-3H3,(H,19,22)
InChIKeySYBVAYYARAAZTJ-UHFFFAOYSA-N
XLogP1.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of 4,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 2928778) is 4,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for 4,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for 4,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide is CC12CCC(C(=O)NCCCN3CCOCC3)(CC1=O)C2(C)C.
What is the InChIKey of 4,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is SYBVAYYARAAZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-16(2)17(3)5-6-18(16,13-14(17)21)15(22)19-7-4-8-20-9-11-23-12-10-20/h4-13H2,1-3H3,(H,19,22).
What are the key properties of 4,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
4,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)-3-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 2928778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).