N-cyclopropyl-N-[(2,3-diethylphenyl)methyl]bicyclo[3.3.1]non-2-ene-2-carboxamide

C24H33NO — CID 141077611

IUPACN-cyclopropyl-N-[(2,3-diethylphenyl)methyl]bicyclo[3.3.1]non-2-ene-2-carboxamide
SMILESCCc1cccc(CN(C(=O)C2=CCC3CCCC2C3)C2CC2)c1CC
InChIInChI=1S/C24H33NO/c1-3-18-8-6-10-20(22(18)4-2)16-25(21-12-13-21)24(26)23-14-11-17-7-5-9-19(23)15-17/h6,8,10,14,17,19,21H,3-5,7,9,11-13,15-16H2,1-2H3
InChIKeyCZIGBDCZJGRQLX-UHFFFAOYSA-N
MW351.53 g/mol
LogP5.44
Rot. Bonds6

About N-cyclopropyl-N-[(2,3-diethylphenyl)methyl]bicyclo[3.3.1]non-2-ene-2-carboxamide

N-cyclopropyl-N-[(2,3-diethylphenyl)methyl]bicyclo[3.3.1]non-2-ene-2-carboxamide (PubChem CID 141077611) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,3-diethylphenyl)methyl]bicyclo[3.3.1]non-2-ene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,3-diethylphenyl)methyl]bicyclo[3.3.1]non-2-ene-2-carboxamide
PubChem CID141077611
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC NameN-cyclopropyl-N-[(2,3-diethylphenyl)methyl]bicyclo[3.3.1]non-2-ene-2-carboxamide
SMILESCCc1cccc(CN(C(=O)C2=CCC3CCCC2C3)C2CC2)c1CC
InChIInChI=1S/C24H33NO/c1-3-18-8-6-10-20(22(18)4-2)16-25(21-12-13-21)24(26)23-14-11-17-7-5-9-19(23)15-17/h6,8,10,14,17,19,21H,3-5,7,9,11-13,15-16H2,1-2H3
InChIKeyCZIGBDCZJGRQLX-UHFFFAOYSA-N
XLogP5.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,3-diethylphenyl)methyl]bicyclo[3.3.1]non-2-ene-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(2,3-diethylphenyl)methyl]bicyclo[3.3.1]non-2-ene-2-carboxamide (CID 141077611) is N-cyclopropyl-N-[(2,3-diethylphenyl)methyl]bicyclo[3.3.1]non-2-ene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(2,3-diethylphenyl)methyl]bicyclo[3.3.1]non-2-ene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(2,3-diethylphenyl)methyl]bicyclo[3.3.1]non-2-ene-2-carboxamide is CCc1cccc(CN(C(=O)C2=CCC3CCCC2C3)C2CC2)c1CC.
What is the InChIKey of N-cyclopropyl-N-[(2,3-diethylphenyl)methyl]bicyclo[3.3.1]non-2-ene-2-carboxamide?
The InChIKey is CZIGBDCZJGRQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO/c1-3-18-8-6-10-20(22(18)4-2)16-25(21-12-13-21)24(26)23-14-11-17-7-5-9-19(23)15-17/h6,8,10,14,17,19,21H,3-5,7,9,11-13,15-16H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[(2,3-diethylphenyl)methyl]bicyclo[3.3.1]non-2-ene-2-carboxamide?
N-cyclopropyl-N-[(2,3-diethylphenyl)methyl]bicyclo[3.3.1]non-2-ene-2-carboxamide has a molecular weight of 351.53 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,3-diethylphenyl)methyl]bicyclo[3.3.1]non-2-ene-2-carboxamide is sourced from PubChem (CID 141077611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).