N-[3-[3-[[2-[methoxy(methyl)amino]acetyl]amino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]hexadecanamide

C30H61N3O4 — CID 170129030

IUPACN-[3-[3-[[2-[methoxy(methyl)amino]acetyl]amino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCC(C)(C)COCC(C)(C)CNC(=O)CN(C)OC
InChIInChI=1S/C30H61N3O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(34)31-23-29(2,3)25-37-26-30(4,5)24-32-28(35)22-33(6)36-7/h8-26H2,1-7H3,(H,31,34)(H,32,35)
InChIKeyWOVJYUDXBBZKCN-UHFFFAOYSA-N
MW527.84 g/mol
LogP6.26
Rot. Bonds25

About N-[3-[3-[[2-[methoxy(methyl)amino]acetyl]amino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]hexadecanamide

N-[3-[3-[[2-[methoxy(methyl)amino]acetyl]amino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]hexadecanamide (PubChem CID 170129030) has the molecular formula C30H61N3O4 and a molecular weight of 527.84 g/mol. Its IUPAC name is N-[3-[3-[[2-[methoxy(methyl)amino]acetyl]amino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]hexadecanamide.

Molecular Properties

Compound NameN-[3-[3-[[2-[methoxy(methyl)amino]acetyl]amino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]hexadecanamide
PubChem CID170129030
Molecular FormulaC30H61N3O4
Molecular Weight527.84 g/mol
Exact Mass527.47
IUPAC NameN-[3-[3-[[2-[methoxy(methyl)amino]acetyl]amino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCC(C)(C)COCC(C)(C)CNC(=O)CN(C)OC
InChIInChI=1S/C30H61N3O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(34)31-23-29(2,3)25-37-26-30(4,5)24-32-28(35)22-33(6)36-7/h8-26H2,1-7H3,(H,31,34)(H,32,35)
InChIKeyWOVJYUDXBBZKCN-UHFFFAOYSA-N
XLogP6.26
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds25
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.84
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2,2-dimethylbutoxy)-2,2-dimethylpropyl]hexadecanamide
CID 162756117
N-[2-[[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-2-oxoethyl]hexanamide
CID 170966316
N-[3-[3-[3-(3-amino-2,2-dimethylpropoxy)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]hexadecanamide;ethane
CID 171529103
N-[2,2-dimethyl-3-(octanoylamino)propyl]octanamide
CID 5147569
N-[2,2-dimethyl-3-(methylamino)propyl]heptanamide
CID 115271233
methyl (2S)-5-[[3-[4-[[3-[3-(hexadecanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-2,2-dimethyl-4-oxobutoxy]-2,2-dimethylpropyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 170014652
N-(5-bromo-2,2-dimethylpentyl)heptanamide
CID 106145537
N-[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-3-methylbutanamide
CID 129177621
N-(3-amino-2,2-dimethyl-3-oxopropyl)hexanamide
CID 141198616
N-[2-ethyl-2-(hydroxymethyl)butyl]octanamide
CID 113331570
N-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]propanamide
CID 130332874
4-[3-(butanoylamino)-2,2-dimethylpropoxy]-N-[3-[2-(methoxymethyl)-2-methylbutoxy]-2,2-dimethylpropyl]-3,3-dimethylbutanamide
CID 170966709

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[[2-[methoxy(methyl)amino]acetyl]amino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]hexadecanamide?
The IUPAC name of N-[3-[3-[[2-[methoxy(methyl)amino]acetyl]amino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]hexadecanamide (CID 170129030) is N-[3-[3-[[2-[methoxy(methyl)amino]acetyl]amino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]hexadecanamide.
What is the SMILES notation for N-[3-[3-[[2-[methoxy(methyl)amino]acetyl]amino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]hexadecanamide?
The canonical SMILES for N-[3-[3-[[2-[methoxy(methyl)amino]acetyl]amino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)NCC(C)(C)COCC(C)(C)CNC(=O)CN(C)OC.
What is the InChIKey of N-[3-[3-[[2-[methoxy(methyl)amino]acetyl]amino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]hexadecanamide?
The InChIKey is WOVJYUDXBBZKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H61N3O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(34)31-23-29(2,3)25-37-26-30(4,5)24-32-28(35)22-33(6)36-7/h8-26H2,1-7H3,(H,31,34)(H,32,35).
What are the key properties of N-[3-[3-[[2-[methoxy(methyl)amino]acetyl]amino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]hexadecanamide?
N-[3-[3-[[2-[methoxy(methyl)amino]acetyl]amino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]hexadecanamide has a molecular weight of 527.84 g/mol, XLogP of 6.26, 25 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[[2-[methoxy(methyl)amino]acetyl]amino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]hexadecanamide is sourced from PubChem (CID 170129030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).