4-methyl-4-(methylamino)-N-[2-[2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]ethoxy]ethyl]pentanamide

C17H35N3O4 — CID 171442691

IUPAC4-methyl-4-(methylamino)-N-[2-[2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]ethoxy]ethyl]pentanamide
SMILESCNC(C)(C)CCC(=O)NCCOCCNC(=O)COC(C)(C)C
InChIInChI=1S/C17H35N3O4/c1-16(2,3)24-13-15(22)20-10-12-23-11-9-19-14(21)7-8-17(4,5)18-6/h18H,7-13H2,1-6H3,(H,19,21)(H,20,22)
InChIKeyLFCQRGZXXZBPCA-UHFFFAOYSA-N
MW345.48 g/mol
LogP0.83
Rot. Bonds12

About 4-methyl-4-(methylamino)-N-[2-[2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]ethoxy]ethyl]pentanamide

4-methyl-4-(methylamino)-N-[2-[2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]ethoxy]ethyl]pentanamide (PubChem CID 171442691) has the molecular formula C17H35N3O4 and a molecular weight of 345.48 g/mol. Its IUPAC name is 4-methyl-4-(methylamino)-N-[2-[2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]ethoxy]ethyl]pentanamide.

Molecular Properties

Compound Name4-methyl-4-(methylamino)-N-[2-[2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]ethoxy]ethyl]pentanamide
PubChem CID171442691
Molecular FormulaC17H35N3O4
Molecular Weight345.48 g/mol
Exact Mass345.26
IUPAC Name4-methyl-4-(methylamino)-N-[2-[2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]ethoxy]ethyl]pentanamide
SMILESCNC(C)(C)CCC(=O)NCCOCCNC(=O)COC(C)(C)C
InChIInChI=1S/C17H35N3O4/c1-16(2,3)24-13-15(22)20-10-12-23-11-9-19-14(21)7-8-17(4,5)18-6/h18H,7-13H2,1-6H3,(H,19,21)(H,20,22)
InChIKeyLFCQRGZXXZBPCA-UHFFFAOYSA-N
XLogP0.83
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 50.83
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

(2S)-2-methyl-6-[[2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetyl]amino]hexanamide
CID 58925251
(2S)-2-methyl-6-[[2-[2-[2-[(2-propoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]hexanamide
CID 58925263
2-(2-methyl-3-oxobutan-2-yl)oxy-N-[5-[[2-(2-methyl-3-oxobutan-2-yl)oxyacetyl]amino]pentyl]acetamide
CID 88908331
N-[2-[(2-methoxyacetyl)amino]ethyl]-4-[(3S)-3-methoxybutoxy]-4-methylpentanamide
CID 89322901
(2S)-6-[[2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetyl]amino]-2-methylhexanamide
CID 89403981
N-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide
CID 91031867
N-[2-[2-[2-(4-aminobutanoylamino)ethoxy]ethoxy]ethyl]-2-methyl-2-(3-methylbutoxy)propanamide
CID 91189038
N-[4-methyl-4-[2-methyl-2-[2-(pentanoylamino)propoxy]propoxy]pentan-2-yl]pentanamide
CID 91516384
N-[5-(tert-butylamino)pentyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 118912422
N,N'-bis[2-(2-amino-2-oxoethoxy)ethyl]-4-[3-[2-(2-amino-2-oxoethoxy)ethylamino]-3-oxopropyl]-4-(methylamino)heptanediamide
CID 123188007
2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxy-N-[6-(methylamino)hexan-2-yl]acetamide
CID 129176000
4-[2-(ethoxymethyl)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propoxy]-2,2,4-trimethyl-N-propylpentanamide
CID 134433543

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(methylamino)-N-[2-[2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]ethoxy]ethyl]pentanamide?
The IUPAC name of 4-methyl-4-(methylamino)-N-[2-[2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]ethoxy]ethyl]pentanamide (CID 171442691) is 4-methyl-4-(methylamino)-N-[2-[2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]ethoxy]ethyl]pentanamide.
What is the SMILES notation for 4-methyl-4-(methylamino)-N-[2-[2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]ethoxy]ethyl]pentanamide?
The canonical SMILES for 4-methyl-4-(methylamino)-N-[2-[2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]ethoxy]ethyl]pentanamide is CNC(C)(C)CCC(=O)NCCOCCNC(=O)COC(C)(C)C.
What is the InChIKey of 4-methyl-4-(methylamino)-N-[2-[2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]ethoxy]ethyl]pentanamide?
The InChIKey is LFCQRGZXXZBPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O4/c1-16(2,3)24-13-15(22)20-10-12-23-11-9-19-14(21)7-8-17(4,5)18-6/h18H,7-13H2,1-6H3,(H,19,21)(H,20,22).
What are the key properties of 4-methyl-4-(methylamino)-N-[2-[2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]ethoxy]ethyl]pentanamide?
4-methyl-4-(methylamino)-N-[2-[2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]ethoxy]ethyl]pentanamide has a molecular weight of 345.48 g/mol, XLogP of 0.83, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(methylamino)-N-[2-[2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]ethoxy]ethyl]pentanamide is sourced from PubChem (CID 171442691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).