N-[2-amino-2,4,4-trimethyl-5-[[2-(6-methyldodecan-6-yloxy)acetyl]amino]pentyl]-2-(5-methylnonan-5-yloxy)acetamide

C35H71N3O4 — CID 170265457

IUPACN-[2-amino-2,4,4-trimethyl-5-[[2-(6-methyldodecan-6-yloxy)acetyl]amino]pentyl]-2-(5-methylnonan-5-yloxy)acetamide
SMILESCCCCCCC(C)(CCCCC)OCC(=O)NCC(C)(C)CC(C)(N)CNC(=O)COC(C)(CCCC)CCCC
InChIInChI=1S/C35H71N3O4/c1-10-14-18-20-24-35(9,23-19-15-11-2)42-25-30(39)37-28-32(5,6)27-33(7,36)29-38-31(40)26-41-34(8,21-16-12-3)22-17-13-4/h10-29,36H2,1-9H3,(H,37,39)(H,38,40)
InChIKeyDGIPWYQLLFJMNO-UHFFFAOYSA-N
MW597.97 g/mol
LogP7.83
Rot. Bonds27

About N-[2-amino-2,4,4-trimethyl-5-[[2-(6-methyldodecan-6-yloxy)acetyl]amino]pentyl]-2-(5-methylnonan-5-yloxy)acetamide

N-[2-amino-2,4,4-trimethyl-5-[[2-(6-methyldodecan-6-yloxy)acetyl]amino]pentyl]-2-(5-methylnonan-5-yloxy)acetamide (PubChem CID 170265457) has the molecular formula C35H71N3O4 and a molecular weight of 597.97 g/mol. Its IUPAC name is N-[2-amino-2,4,4-trimethyl-5-[[2-(6-methyldodecan-6-yloxy)acetyl]amino]pentyl]-2-(5-methylnonan-5-yloxy)acetamide.

Molecular Properties

Compound NameN-[2-amino-2,4,4-trimethyl-5-[[2-(6-methyldodecan-6-yloxy)acetyl]amino]pentyl]-2-(5-methylnonan-5-yloxy)acetamide
PubChem CID170265457
Molecular FormulaC35H71N3O4
Molecular Weight597.97 g/mol
Exact Mass597.54
IUPAC NameN-[2-amino-2,4,4-trimethyl-5-[[2-(6-methyldodecan-6-yloxy)acetyl]amino]pentyl]-2-(5-methylnonan-5-yloxy)acetamide
SMILESCCCCCCC(C)(CCCCC)OCC(=O)NCC(C)(C)CC(C)(N)CNC(=O)COC(C)(CCCC)CCCC
InChIInChI=1S/C35H71N3O4/c1-10-14-18-20-24-35(9,23-19-15-11-2)42-25-30(39)37-28-32(5,6)27-33(7,36)29-38-31(40)26-41-34(8,21-16-12-3)22-17-13-4/h10-29,36H2,1-9H3,(H,37,39)(H,38,40)
InChIKeyDGIPWYQLLFJMNO-UHFFFAOYSA-N
XLogP7.83
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds27
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.97
LogP ≤ 57.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethylheptyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605551
N-[2,2-dimethyl-3-(octanoylamino)propyl]octanamide
CID 5147569
N-hexyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605068
2-hydroxy-N-[2,2,4,4-tetramethyl-5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentyl]acetamide
CID 167513173
N-[4-(5-hexyl-2,5-dimethyldodec-3-en-2-yl)oxy-2-methylbutan-2-yl]-2-(8-methylpentadecan-8-yloxy)acetamide
CID 167295362
N-(4-amino-2,2-dimethylbutyl)pentanamide
CID 106139700
2-(2,2-dimethylheptylcarbamoylamino)oxyacetic acid
CID 113498388
3-(aminomethyl)-N-(2,2-dimethylheptyl)pentanamide
CID 81080690
N-[2,2-dimethyl-3-(methylamino)propyl]heptanamide
CID 115271233
N-(5-bromo-2,2-dimethylpentyl)heptanamide
CID 106145537
9-heptoxy-9-methylhenicosane
CID 91127088
3-amino-N-(2,2-dimethylpentyl)-3-methylbutanamide
CID 115155111

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2,4,4-trimethyl-5-[[2-(6-methyldodecan-6-yloxy)acetyl]amino]pentyl]-2-(5-methylnonan-5-yloxy)acetamide?
The IUPAC name of N-[2-amino-2,4,4-trimethyl-5-[[2-(6-methyldodecan-6-yloxy)acetyl]amino]pentyl]-2-(5-methylnonan-5-yloxy)acetamide (CID 170265457) is N-[2-amino-2,4,4-trimethyl-5-[[2-(6-methyldodecan-6-yloxy)acetyl]amino]pentyl]-2-(5-methylnonan-5-yloxy)acetamide.
What is the SMILES notation for N-[2-amino-2,4,4-trimethyl-5-[[2-(6-methyldodecan-6-yloxy)acetyl]amino]pentyl]-2-(5-methylnonan-5-yloxy)acetamide?
The canonical SMILES for N-[2-amino-2,4,4-trimethyl-5-[[2-(6-methyldodecan-6-yloxy)acetyl]amino]pentyl]-2-(5-methylnonan-5-yloxy)acetamide is CCCCCCC(C)(CCCCC)OCC(=O)NCC(C)(C)CC(C)(N)CNC(=O)COC(C)(CCCC)CCCC.
What is the InChIKey of N-[2-amino-2,4,4-trimethyl-5-[[2-(6-methyldodecan-6-yloxy)acetyl]amino]pentyl]-2-(5-methylnonan-5-yloxy)acetamide?
The InChIKey is DGIPWYQLLFJMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H71N3O4/c1-10-14-18-20-24-35(9,23-19-15-11-2)42-25-30(39)37-28-32(5,6)27-33(7,36)29-38-31(40)26-41-34(8,21-16-12-3)22-17-13-4/h10-29,36H2,1-9H3,(H,37,39)(H,38,40).
What are the key properties of N-[2-amino-2,4,4-trimethyl-5-[[2-(6-methyldodecan-6-yloxy)acetyl]amino]pentyl]-2-(5-methylnonan-5-yloxy)acetamide?
N-[2-amino-2,4,4-trimethyl-5-[[2-(6-methyldodecan-6-yloxy)acetyl]amino]pentyl]-2-(5-methylnonan-5-yloxy)acetamide has a molecular weight of 597.97 g/mol, XLogP of 7.83, 27 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2,4,4-trimethyl-5-[[2-(6-methyldodecan-6-yloxy)acetyl]amino]pentyl]-2-(5-methylnonan-5-yloxy)acetamide is sourced from PubChem (CID 170265457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).