2,2-bis[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]decanediamide

C48H92N6O4 — CID 54505780

IUPAC2,2-bis[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]decanediamide
SMILESCC1(C)CC(CCCCNC(CCCCCCCC(N)=O)(NCCCCC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)C(N)=O)CC(C)(C)N1OC1CCCCC1
InChIInChI=1S/C48H92N6O4/c1-44(2)34-38(35-45(3,4)53(44)57-40-26-14-12-15-27-40)24-19-22-32-51-48(43(50)56,31-21-11-9-10-18-30-42(49)55)52-33-23-20-25-39-36-46(5,6)54(47(7,8)37-39)58-41-28-16-13-17-29-41/h38-41,51-52H,9-37H2,1-8H3,(H2,49,55)(H2,50,56)
InChIKeyYFPDNNBSDQVHIV-UHFFFAOYSA-N
MW817.30 g/mol
LogP9.97
Rot. Bonds25

About 2,2-bis[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]decanediamide

2,2-bis[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]decanediamide (PubChem CID 54505780) has the molecular formula C48H92N6O4 and a molecular weight of 817.30 g/mol. Its IUPAC name is 2,2-bis[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]decanediamide.

Molecular Properties

Compound Name2,2-bis[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]decanediamide
PubChem CID54505780
Molecular FormulaC48H92N6O4
Molecular Weight817.30 g/mol
Exact Mass816.72
IUPAC Name2,2-bis[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]decanediamide
SMILESCC1(C)CC(CCCCNC(CCCCCCCC(N)=O)(NCCCCC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)C(N)=O)CC(C)(C)N1OC1CCCCC1
InChIInChI=1S/C48H92N6O4/c1-44(2)34-38(35-45(3,4)53(44)57-40-26-14-12-15-27-40)24-19-22-32-51-48(43(50)56,31-21-11-9-10-18-30-42(49)55)52-33-23-20-25-39-36-46(5,6)54(47(7,8)37-39)58-41-28-16-13-17-29-41/h38-41,51-52H,9-37H2,1-8H3,(H2,49,55)(H2,50,56)
InChIKeyYFPDNNBSDQVHIV-UHFFFAOYSA-N
XLogP9.97
TPSA135.18 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds25
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.30
LogP ≤ 59.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2,2-bis[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]decanediamide with MolForge

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Related Compounds

1-cyclohexyloxy-N-[7-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)heptyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 157057576
18-cyclohexyloctadecanamide
CID 70490920
5-(cycloheptylmethylamino)pentanamide
CID 106233402
1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-N,N-dimethylmethanamine
CID 59934514
4-chloro-6-[4-[2-[4-[[4-chloro-6-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenoxy]-N-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazin-2-amine
CID 54371226
4-cyano-4-[[2-cyano-5-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-5-oxopentan-2-yl]diazenyl]-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)pentanamide
CID 19831371
1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-ol
CID 23372116
methyl 6-[[N-(4-cyclopentylbutyl)-N'-methylcarbamimidoyl]amino]hexanoate
CID 111608920
1-[4-(4-aminobutyl)-2,2,6,6-tetramethylpiperidin-1-yl]oxy-2-methylpropan-2-ol
CID 141007745
19-cyclohexylnonadecanoic acid
CID 71352938
7-cyclohexylheptanoic acid
CID 71560336
3-cyclohexylpropanamide;ethane;methanamine
CID 178116013

Frequently Asked Questions

What is the IUPAC name of 2,2-bis[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]decanediamide?
The IUPAC name of 2,2-bis[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]decanediamide (CID 54505780) is 2,2-bis[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]decanediamide.
What is the SMILES notation for 2,2-bis[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]decanediamide?
The canonical SMILES for 2,2-bis[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]decanediamide is CC1(C)CC(CCCCNC(CCCCCCCC(N)=O)(NCCCCC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)C(N)=O)CC(C)(C)N1OC1CCCCC1.
What is the InChIKey of 2,2-bis[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]decanediamide?
The InChIKey is YFPDNNBSDQVHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H92N6O4/c1-44(2)34-38(35-45(3,4)53(44)57-40-26-14-12-15-27-40)24-19-22-32-51-48(43(50)56,31-21-11-9-10-18-30-42(49)55)52-33-23-20-25-39-36-46(5,6)54(47(7,8)37-39)58-41-28-16-13-17-29-41/h38-41,51-52H,9-37H2,1-8H3,(H2,49,55)(H2,50,56).
What are the key properties of 2,2-bis[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]decanediamide?
2,2-bis[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]decanediamide has a molecular weight of 817.30 g/mol, XLogP of 9.97, 25 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]decanediamide is sourced from PubChem (CID 54505780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).