N',N'-dipropyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpentanediamide

C23H34N2O4 — CID 56538840

IUPACN',N'-dipropyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2
InChIInChI=1S/C23H34N2O4/c1-3-15-25(16-4-2)22(27)10-8-9-21(26)24-18-11-12-19-20(17-18)29-23(28-19)13-6-5-7-14-23/h11-12,17H,3-10,13-16H2,1-2H3,(H,24,26)
InChIKeyVAZYBVQVJXQKCT-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.88
Rot. Bonds9

About N',N'-dipropyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpentanediamide

N',N'-dipropyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpentanediamide (PubChem CID 56538840) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is N',N'-dipropyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpentanediamide.

Molecular Properties

Compound NameN',N'-dipropyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpentanediamide
PubChem CID56538840
Molecular FormulaC23H34N2O4
Molecular Weight402.54 g/mol
Exact Mass402.25
IUPAC NameN',N'-dipropyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2
InChIInChI=1S/C23H34N2O4/c1-3-15-25(16-4-2)22(27)10-8-9-21(26)24-18-11-12-19-20(17-18)29-23(28-19)13-6-5-7-14-23/h11-12,17H,3-10,13-16H2,1-2H3,(H,24,26)
InChIKeyVAZYBVQVJXQKCT-UHFFFAOYSA-N
XLogP4.88
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 78785716
N-[4-oxo-4-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)butyl]benzamide
CID 46664862
2-(methylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 120703453
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbutanamide
CID 17420767
3,5-dimethyl-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide
CID 24646089
2-(4-hydroxyphenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 78837912
N-[4-oxo-4-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)butyl]thiophene-2-carboxamide
CID 42280483
4-morpholin-4-yl-4-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbutanamide
CID 17476459
4-bromo-N-[3-oxo-3-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)propyl]benzamide
CID 43000654
N-[3-chloro-4-(dimethylamino)phenyl]-N',N'-dipropylpentanediamide
CID 56540193
1-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-3-[4-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamoylamino)butyl]urea
CID 46786136
N-[3-oxo-3-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)propyl]cyclopentanecarboxamide
CID 39928678

Frequently Asked Questions

What is the IUPAC name of N',N'-dipropyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpentanediamide?
The IUPAC name of N',N'-dipropyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpentanediamide (CID 56538840) is N',N'-dipropyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpentanediamide.
What is the SMILES notation for N',N'-dipropyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpentanediamide?
The canonical SMILES for N',N'-dipropyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpentanediamide is CCCN(CCC)C(=O)CCCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2.
What is the InChIKey of N',N'-dipropyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpentanediamide?
The InChIKey is VAZYBVQVJXQKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O4/c1-3-15-25(16-4-2)22(27)10-8-9-21(26)24-18-11-12-19-20(17-18)29-23(28-19)13-6-5-7-14-23/h11-12,17H,3-10,13-16H2,1-2H3,(H,24,26).
What are the key properties of N',N'-dipropyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpentanediamide?
N',N'-dipropyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpentanediamide has a molecular weight of 402.54 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dipropyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpentanediamide is sourced from PubChem (CID 56538840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).