3-(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)propanamide

C25H39N7O — CID 67163615

IUPAC3-(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)propanamide
SMILESO=C(CCN1CCC2(CCN(C3CCCCC3)CC2)C1)N(Cc1ncc[nH]1)Cc1ncc[nH]1
InChIInChI=1S/C25H39N7O/c33-24(32(18-22-26-10-11-27-22)19-23-28-12-13-29-23)6-14-30-15-7-25(20-30)8-16-31(17-9-25)21-4-2-1-3-5-21/h10-13,21H,1-9,14-20H2,(H,26,27)(H,28,29)
InChIKeyKUMDRCRNKPXEBQ-UHFFFAOYSA-N
MW453.64 g/mol
LogP3.17
Rot. Bonds8

About 3-(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)propanamide

3-(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)propanamide (PubChem CID 67163615) has the molecular formula C25H39N7O and a molecular weight of 453.64 g/mol. Its IUPAC name is 3-(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)propanamide
PubChem CID67163615
Molecular FormulaC25H39N7O
Molecular Weight453.64 g/mol
Exact Mass453.32
IUPAC Name3-(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)propanamide
SMILESO=C(CCN1CCC2(CCN(C3CCCCC3)CC2)C1)N(Cc1ncc[nH]1)Cc1ncc[nH]1
InChIInChI=1S/C25H39N7O/c33-24(32(18-22-26-10-11-27-22)19-23-28-12-13-29-23)6-14-30-15-7-25(20-30)8-16-31(17-9-25)21-4-2-1-3-5-21/h10-13,21H,1-9,14-20H2,(H,26,27)(H,28,29)
InChIKeyKUMDRCRNKPXEBQ-UHFFFAOYSA-N
XLogP3.17
TPSA84.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.64
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)propanamide?
The IUPAC name of 3-(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)propanamide (CID 67163615) is 3-(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)propanamide?
The canonical SMILES for 3-(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)propanamide is O=C(CCN1CCC2(CCN(C3CCCCC3)CC2)C1)N(Cc1ncc[nH]1)Cc1ncc[nH]1.
What is the InChIKey of 3-(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)propanamide?
The InChIKey is KUMDRCRNKPXEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N7O/c33-24(32(18-22-26-10-11-27-22)19-23-28-12-13-29-23)6-14-30-15-7-25(20-30)8-16-31(17-9-25)21-4-2-1-3-5-21/h10-13,21H,1-9,14-20H2,(H,26,27)(H,28,29).
What are the key properties of 3-(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)propanamide?
3-(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)propanamide has a molecular weight of 453.64 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)-N,N-bis(1H-imidazol-2-ylmethyl)propanamide is sourced from PubChem (CID 67163615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).