N-methyl-N-(7-methyl-5-oxo-6-propan-2-ylnonyl)bicyclo[3.3.1]non-2-ene-3-carboxamide

C24H41NO2 — CID 71033344

IUPACN-methyl-N-(7-methyl-5-oxo-6-propan-2-ylnonyl)bicyclo[3.3.1]non-2-ene-3-carboxamide
SMILESCCC(C)C(C(=O)CCCCN(C)C(=O)C1=CC2CCCC(C1)C2)C(C)C
InChIInChI=1S/C24H41NO2/c1-6-18(4)23(17(2)3)22(26)12-7-8-13-25(5)24(27)21-15-19-10-9-11-20(14-19)16-21/h15,17-20,23H,6-14,16H2,1-5H3
InChIKeyIWJOJOMLLKBFRG-UHFFFAOYSA-N
MW375.60 g/mol
LogP5.64
Rot. Bonds10

About N-methyl-N-(7-methyl-5-oxo-6-propan-2-ylnonyl)bicyclo[3.3.1]non-2-ene-3-carboxamide

N-methyl-N-(7-methyl-5-oxo-6-propan-2-ylnonyl)bicyclo[3.3.1]non-2-ene-3-carboxamide (PubChem CID 71033344) has the molecular formula C24H41NO2 and a molecular weight of 375.60 g/mol. Its IUPAC name is N-methyl-N-(7-methyl-5-oxo-6-propan-2-ylnonyl)bicyclo[3.3.1]non-2-ene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(7-methyl-5-oxo-6-propan-2-ylnonyl)bicyclo[3.3.1]non-2-ene-3-carboxamide
PubChem CID71033344
Molecular FormulaC24H41NO2
Molecular Weight375.60 g/mol
Exact Mass375.31
IUPAC NameN-methyl-N-(7-methyl-5-oxo-6-propan-2-ylnonyl)bicyclo[3.3.1]non-2-ene-3-carboxamide
SMILESCCC(C)C(C(=O)CCCCN(C)C(=O)C1=CC2CCCC(C1)C2)C(C)C
InChIInChI=1S/C24H41NO2/c1-6-18(4)23(17(2)3)22(26)12-7-8-13-25(5)24(27)21-15-19-10-9-11-20(14-19)16-21/h15,17-20,23H,6-14,16H2,1-5H3
InChIKeyIWJOJOMLLKBFRG-UHFFFAOYSA-N
XLogP5.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-methyl-N-(7-methyl-5-oxo-6-propan-2-ylnonyl)bicyclo[3.3.1]non-2-ene-3-carboxamide?
The IUPAC name of N-methyl-N-(7-methyl-5-oxo-6-propan-2-ylnonyl)bicyclo[3.3.1]non-2-ene-3-carboxamide (CID 71033344) is N-methyl-N-(7-methyl-5-oxo-6-propan-2-ylnonyl)bicyclo[3.3.1]non-2-ene-3-carboxamide.
What is the SMILES notation for N-methyl-N-(7-methyl-5-oxo-6-propan-2-ylnonyl)bicyclo[3.3.1]non-2-ene-3-carboxamide?
The canonical SMILES for N-methyl-N-(7-methyl-5-oxo-6-propan-2-ylnonyl)bicyclo[3.3.1]non-2-ene-3-carboxamide is CCC(C)C(C(=O)CCCCN(C)C(=O)C1=CC2CCCC(C1)C2)C(C)C.
What is the InChIKey of N-methyl-N-(7-methyl-5-oxo-6-propan-2-ylnonyl)bicyclo[3.3.1]non-2-ene-3-carboxamide?
The InChIKey is IWJOJOMLLKBFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO2/c1-6-18(4)23(17(2)3)22(26)12-7-8-13-25(5)24(27)21-15-19-10-9-11-20(14-19)16-21/h15,17-20,23H,6-14,16H2,1-5H3.
What are the key properties of N-methyl-N-(7-methyl-5-oxo-6-propan-2-ylnonyl)bicyclo[3.3.1]non-2-ene-3-carboxamide?
N-methyl-N-(7-methyl-5-oxo-6-propan-2-ylnonyl)bicyclo[3.3.1]non-2-ene-3-carboxamide has a molecular weight of 375.60 g/mol, XLogP of 5.64, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(7-methyl-5-oxo-6-propan-2-ylnonyl)bicyclo[3.3.1]non-2-ene-3-carboxamide is sourced from PubChem (CID 71033344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).