3,3,5-trimethyl-5-(methylamino)-N-[[3-[[3,3,5-trimethyl-5-(methylamino)hexanoyl]amino]cyclopentyl]methyl]hexanamide

C26H52N4O2 — CID 167077622

IUPAC3,3,5-trimethyl-5-(methylamino)-N-[[3-[[3,3,5-trimethyl-5-(methylamino)hexanoyl]amino]cyclopentyl]methyl]hexanamide
SMILESCNC(C)(C)CC(C)(C)CC(=O)NCC1CCC(NC(=O)CC(C)(C)CC(C)(C)NC)C1
InChIInChI=1S/C26H52N4O2/c1-23(2,17-25(5,6)27-9)14-21(31)29-16-19-11-12-20(13-19)30-22(32)15-24(3,4)18-26(7,8)28-10/h19-20,27-28H,11-18H2,1-10H3,(H,29,31)(H,30,32)
InChIKeyZUDRIPQUIITNKH-UHFFFAOYSA-N
MW452.73 g/mol
LogP4.00
Rot. Bonds13

About 3,3,5-trimethyl-5-(methylamino)-N-[[3-[[3,3,5-trimethyl-5-(methylamino)hexanoyl]amino]cyclopentyl]methyl]hexanamide

3,3,5-trimethyl-5-(methylamino)-N-[[3-[[3,3,5-trimethyl-5-(methylamino)hexanoyl]amino]cyclopentyl]methyl]hexanamide (PubChem CID 167077622) has the molecular formula C26H52N4O2 and a molecular weight of 452.73 g/mol. Its IUPAC name is 3,3,5-trimethyl-5-(methylamino)-N-[[3-[[3,3,5-trimethyl-5-(methylamino)hexanoyl]amino]cyclopentyl]methyl]hexanamide.

Molecular Properties

Compound Name3,3,5-trimethyl-5-(methylamino)-N-[[3-[[3,3,5-trimethyl-5-(methylamino)hexanoyl]amino]cyclopentyl]methyl]hexanamide
PubChem CID167077622
Molecular FormulaC26H52N4O2
Molecular Weight452.73 g/mol
Exact Mass452.41
IUPAC Name3,3,5-trimethyl-5-(methylamino)-N-[[3-[[3,3,5-trimethyl-5-(methylamino)hexanoyl]amino]cyclopentyl]methyl]hexanamide
SMILESCNC(C)(C)CC(C)(C)CC(=O)NCC1CCC(NC(=O)CC(C)(C)CC(C)(C)NC)C1
InChIInChI=1S/C26H52N4O2/c1-23(2,17-25(5,6)27-9)14-21(31)29-16-19-11-12-20(13-19)30-22(32)15-24(3,4)18-26(7,8)28-10/h19-20,27-28H,11-18H2,1-10H3,(H,29,31)(H,30,32)
InChIKeyZUDRIPQUIITNKH-UHFFFAOYSA-N
XLogP4.00
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.73
LogP ≤ 54.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3,3,5-trimethyl-5-(methylamino)-N-[[3-[[3,3,5-trimethyl-5-(methylamino)hexanoyl]amino]cyclopentyl]methyl]hexanamide with MolForge

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Related Compounds

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CID 59002749
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5-(cyclobutylmethylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62933861
5-[(4-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933875
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CID 43653225
3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3-methylbutanamide
CID 64684778
1-[3-(2,2-dimethylpropyl)cyclopentyl]-3-methylurea
CID 164775288
N-cyclopropyl-3-[(3-methylcyclopentyl)methylamino]propanamide
CID 107412683
3-methoxy-3-methyl-N-(3-methylcyclopentyl)butanamide
CID 103021030
2,2-dimethyl-4-oxo-4-[(4-propylcyclohexyl)amino]butanoic acid
CID 65300395
N-[(3-chlorocyclopentyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106126851

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-5-(methylamino)-N-[[3-[[3,3,5-trimethyl-5-(methylamino)hexanoyl]amino]cyclopentyl]methyl]hexanamide?
The IUPAC name of 3,3,5-trimethyl-5-(methylamino)-N-[[3-[[3,3,5-trimethyl-5-(methylamino)hexanoyl]amino]cyclopentyl]methyl]hexanamide (CID 167077622) is 3,3,5-trimethyl-5-(methylamino)-N-[[3-[[3,3,5-trimethyl-5-(methylamino)hexanoyl]amino]cyclopentyl]methyl]hexanamide.
What is the SMILES notation for 3,3,5-trimethyl-5-(methylamino)-N-[[3-[[3,3,5-trimethyl-5-(methylamino)hexanoyl]amino]cyclopentyl]methyl]hexanamide?
The canonical SMILES for 3,3,5-trimethyl-5-(methylamino)-N-[[3-[[3,3,5-trimethyl-5-(methylamino)hexanoyl]amino]cyclopentyl]methyl]hexanamide is CNC(C)(C)CC(C)(C)CC(=O)NCC1CCC(NC(=O)CC(C)(C)CC(C)(C)NC)C1.
What is the InChIKey of 3,3,5-trimethyl-5-(methylamino)-N-[[3-[[3,3,5-trimethyl-5-(methylamino)hexanoyl]amino]cyclopentyl]methyl]hexanamide?
The InChIKey is ZUDRIPQUIITNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N4O2/c1-23(2,17-25(5,6)27-9)14-21(31)29-16-19-11-12-20(13-19)30-22(32)15-24(3,4)18-26(7,8)28-10/h19-20,27-28H,11-18H2,1-10H3,(H,29,31)(H,30,32).
What are the key properties of 3,3,5-trimethyl-5-(methylamino)-N-[[3-[[3,3,5-trimethyl-5-(methylamino)hexanoyl]amino]cyclopentyl]methyl]hexanamide?
3,3,5-trimethyl-5-(methylamino)-N-[[3-[[3,3,5-trimethyl-5-(methylamino)hexanoyl]amino]cyclopentyl]methyl]hexanamide has a molecular weight of 452.73 g/mol, XLogP of 4.00, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-5-(methylamino)-N-[[3-[[3,3,5-trimethyl-5-(methylamino)hexanoyl]amino]cyclopentyl]methyl]hexanamide is sourced from PubChem (CID 167077622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).