N-cyclopropyl-2-ethyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide

C20H25NO — CID 70343815

IUPACN-cyclopropyl-2-ethyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide
SMILESCCC1(C(=O)NC2CC2)CC2(C=CC3(C=CCC=C3)C=C2)C1
InChIInChI=1S/C20H25NO/c1-2-20(17(22)21-16-6-7-16)14-19(15-20)12-10-18(11-13-19)8-4-3-5-9-18/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3,(H,21,22)
InChIKeyNHQAQLNMDDAJGU-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.07
Rot. Bonds3

About N-cyclopropyl-2-ethyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide

N-cyclopropyl-2-ethyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide (PubChem CID 70343815) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is N-cyclopropyl-2-ethyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-ethyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide
PubChem CID70343815
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC NameN-cyclopropyl-2-ethyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide
SMILESCCC1(C(=O)NC2CC2)CC2(C=CC3(C=CCC=C3)C=C2)C1
InChIInChI=1S/C20H25NO/c1-2-20(17(22)21-16-6-7-16)14-19(15-20)12-10-18(11-13-19)8-4-3-5-9-18/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3,(H,21,22)
InChIKeyNHQAQLNMDDAJGU-UHFFFAOYSA-N
XLogP4.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-(4-bromocyclohexyl)-1-ethylcyclopentane-1-carboxamide
CID 114309108
N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide
CID 63141088
2-[4-[(1-ethylcyclopropanecarbonyl)amino]cyclohexyl]acetic acid
CID 121439175
N-cyclooctyl-4-ethylpiperidine-4-carboxamide
CID 63127199
N-cyclopropyl-2-ethylbutanamide
CID 5151098
[4-(ethylamino)cyclohexyl]urea
CID 43653665
1-(aminomethyl)-N-(4-propan-2-ylcyclohexyl)cyclopropane-1-carboxamide
CID 71234398
1-[(4-hydroxyphenyl)methyl]-N-[4-(methylamino)cyclohexyl]cyclopropane-1-carboxamide
CID 167949557
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CID 120601589

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-ethyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide?
The IUPAC name of N-cyclopropyl-2-ethyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide (CID 70343815) is N-cyclopropyl-2-ethyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-ethyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-2-ethyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide is CCC1(C(=O)NC2CC2)CC2(C=CC3(C=CCC=C3)C=C2)C1.
What is the InChIKey of N-cyclopropyl-2-ethyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide?
The InChIKey is NHQAQLNMDDAJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-2-20(17(22)21-16-6-7-16)14-19(15-20)12-10-18(11-13-19)8-4-3-5-9-18/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3,(H,21,22).
What are the key properties of N-cyclopropyl-2-ethyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide?
N-cyclopropyl-2-ethyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-ethyldispiro[3.2.57.24]tetradeca-5,8,11,13-tetraene-2-carboxamide is sourced from PubChem (CID 70343815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).