N-[6-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)-(methylcarbamoyl)amino]hexyl]-N-[(2S)-4-(tert-butylamino)-4-methylpentan-2-yl]acetamide

C29H60N6O2 — CID 130241387

IUPACN-[6-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)-(methylcarbamoyl)amino]hexyl]-N-[(2S)-4-(tert-butylamino)-4-methylpentan-2-yl]acetamide
SMILESCNC(=O)N(CCCCCCN(C(C)=O)[C@@H](C)CC(C)(C)NC(C)(C)C)C1CC(C)(C)N(N)C(C)(C)C1
InChIInChI=1S/C29H60N6O2/c1-22(19-27(6,7)32-26(3,4)5)33(23(2)36)17-15-13-14-16-18-34(25(37)31-12)24-20-28(8,9)35(30)29(10,11)21-24/h22,24,32H,13-21,30H2,1-12H3,(H,31,37)/t22-/m0/s1
InChIKeyDBTDOXLUDCTLHM-QFIPXVFZSA-N
MW524.84 g/mol
LogP4.88
Rot. Bonds12

About N-[6-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)-(methylcarbamoyl)amino]hexyl]-N-[(2S)-4-(tert-butylamino)-4-methylpentan-2-yl]acetamide

N-[6-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)-(methylcarbamoyl)amino]hexyl]-N-[(2S)-4-(tert-butylamino)-4-methylpentan-2-yl]acetamide (PubChem CID 130241387) has the molecular formula C29H60N6O2 and a molecular weight of 524.84 g/mol. Its IUPAC name is N-[6-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)-(methylcarbamoyl)amino]hexyl]-N-[(2S)-4-(tert-butylamino)-4-methylpentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)-(methylcarbamoyl)amino]hexyl]-N-[(2S)-4-(tert-butylamino)-4-methylpentan-2-yl]acetamide
PubChem CID130241387
Molecular FormulaC29H60N6O2
Molecular Weight524.84 g/mol
Exact Mass524.48
IUPAC NameN-[6-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)-(methylcarbamoyl)amino]hexyl]-N-[(2S)-4-(tert-butylamino)-4-methylpentan-2-yl]acetamide
SMILESCNC(=O)N(CCCCCCN(C(C)=O)[C@@H](C)CC(C)(C)NC(C)(C)C)C1CC(C)(C)N(N)C(C)(C)C1
InChIInChI=1S/C29H60N6O2/c1-22(19-27(6,7)32-26(3,4)5)33(23(2)36)17-15-13-14-16-18-34(25(37)31-12)24-20-28(8,9)35(30)29(10,11)21-24/h22,24,32H,13-21,30H2,1-12H3,(H,31,37)/t22-/m0/s1
InChIKeyDBTDOXLUDCTLHM-QFIPXVFZSA-N
XLogP4.88
TPSA93.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.84
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)-(methylcarbamoyl)amino]hexyl]-N-[(2S)-4-(tert-butylamino)-4-methylpentan-2-yl]acetamide?
The IUPAC name of N-[6-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)-(methylcarbamoyl)amino]hexyl]-N-[(2S)-4-(tert-butylamino)-4-methylpentan-2-yl]acetamide (CID 130241387) is N-[6-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)-(methylcarbamoyl)amino]hexyl]-N-[(2S)-4-(tert-butylamino)-4-methylpentan-2-yl]acetamide.
What is the SMILES notation for N-[6-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)-(methylcarbamoyl)amino]hexyl]-N-[(2S)-4-(tert-butylamino)-4-methylpentan-2-yl]acetamide?
The canonical SMILES for N-[6-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)-(methylcarbamoyl)amino]hexyl]-N-[(2S)-4-(tert-butylamino)-4-methylpentan-2-yl]acetamide is CNC(=O)N(CCCCCCN(C(C)=O)[C@@H](C)CC(C)(C)NC(C)(C)C)C1CC(C)(C)N(N)C(C)(C)C1.
What is the InChIKey of N-[6-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)-(methylcarbamoyl)amino]hexyl]-N-[(2S)-4-(tert-butylamino)-4-methylpentan-2-yl]acetamide?
The InChIKey is DBTDOXLUDCTLHM-QFIPXVFZSA-N. The full InChI is InChI=1S/C29H60N6O2/c1-22(19-27(6,7)32-26(3,4)5)33(23(2)36)17-15-13-14-16-18-34(25(37)31-12)24-20-28(8,9)35(30)29(10,11)21-24/h22,24,32H,13-21,30H2,1-12H3,(H,31,37)/t22-/m0/s1.
What are the key properties of N-[6-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)-(methylcarbamoyl)amino]hexyl]-N-[(2S)-4-(tert-butylamino)-4-methylpentan-2-yl]acetamide?
N-[6-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)-(methylcarbamoyl)amino]hexyl]-N-[(2S)-4-(tert-butylamino)-4-methylpentan-2-yl]acetamide has a molecular weight of 524.84 g/mol, XLogP of 4.88, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1-amino-2,2,6,6-tetramethylpiperidin-4-yl)-(methylcarbamoyl)amino]hexyl]-N-[(2S)-4-(tert-butylamino)-4-methylpentan-2-yl]acetamide is sourced from PubChem (CID 130241387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).