2-(methylamino)-N-[3-[2-[2-[3-[[2-(methylamino)acetyl]amino]propoxy]ethoxy]ethoxy]propyl]acetamide

C16H34N4O5 — CID 89399442

IUPAC2-(methylamino)-N-[3-[2-[2-[3-[[2-(methylamino)acetyl]amino]propoxy]ethoxy]ethoxy]propyl]acetamide
SMILESCNCC(=O)NCCCOCCOCCOCCCNC(=O)CNC
InChIInChI=1S/C16H34N4O5/c1-17-13-15(21)19-5-3-7-23-9-11-25-12-10-24-8-4-6-20-16(22)14-18-2/h17-18H,3-14H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyIGGHFIJJEZHSMR-UHFFFAOYSA-N
MW362.47 g/mol
LogP-1.51
Rot. Bonds18

About 2-(methylamino)-N-[3-[2-[2-[3-[[2-(methylamino)acetyl]amino]propoxy]ethoxy]ethoxy]propyl]acetamide

2-(methylamino)-N-[3-[2-[2-[3-[[2-(methylamino)acetyl]amino]propoxy]ethoxy]ethoxy]propyl]acetamide (PubChem CID 89399442) has the molecular formula C16H34N4O5 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-(methylamino)-N-[3-[2-[2-[3-[[2-(methylamino)acetyl]amino]propoxy]ethoxy]ethoxy]propyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[3-[2-[2-[3-[[2-(methylamino)acetyl]amino]propoxy]ethoxy]ethoxy]propyl]acetamide
PubChem CID89399442
Molecular FormulaC16H34N4O5
Molecular Weight362.47 g/mol
Exact Mass362.25
IUPAC Name2-(methylamino)-N-[3-[2-[2-[3-[[2-(methylamino)acetyl]amino]propoxy]ethoxy]ethoxy]propyl]acetamide
SMILESCNCC(=O)NCCCOCCOCCOCCCNC(=O)CNC
InChIInChI=1S/C16H34N4O5/c1-17-13-15(21)19-5-3-7-23-9-11-25-12-10-24-8-4-6-20-16(22)14-18-2/h17-18H,3-14H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyIGGHFIJJEZHSMR-UHFFFAOYSA-N
XLogP-1.51
TPSA109.95 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 5-1.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-butoxyethyl)-2-(methylamino)acetamide
CID 61175686
2-(methylamino)-N-[3-(2-methylpropoxy)propyl]acetamide;hydrochloride
CID 119693610
2-(methylamino)-N-[4-[[2-(methylamino)acetyl]amino]butyl]acetamide
CID 177413313
N-(3-ethenoxypropyl)-2-(methylamino)acetamide
CID 61274455
2-bromo-N-[3-[2-[2-[3-[(2-bromoacetyl)amino]propoxy]ethoxy]ethoxy]propyl]acetamide
CID 164805844
2-amino-N-[2-[3-(2-methoxyethoxy)propylamino]-2-oxoethyl]acetamide
CID 61274452
ethane;2-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide
CID 177342211
ethane;2-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 145320250
N-(4-hydroxybutyl)-2-(methylamino)acetamide
CID 106841932
N-(3-hydroxypropyl)-2-(methylamino)acetamide;hydrochloride
CID 56832092
N-(3-butoxypropyl)-2-(propylamino)acetamide
CID 115574332
N'-[1-[3-[[2-(methylamino)acetyl]amino]propoxy]-2-[3-[[2-(methylamino)acetyl]amino]propoxymethyl]-3-[3-(propanoylamino)propoxy]propan-2-yl]butanediamide
CID 59344599

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[3-[2-[2-[3-[[2-(methylamino)acetyl]amino]propoxy]ethoxy]ethoxy]propyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[3-[2-[2-[3-[[2-(methylamino)acetyl]amino]propoxy]ethoxy]ethoxy]propyl]acetamide (CID 89399442) is 2-(methylamino)-N-[3-[2-[2-[3-[[2-(methylamino)acetyl]amino]propoxy]ethoxy]ethoxy]propyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[3-[2-[2-[3-[[2-(methylamino)acetyl]amino]propoxy]ethoxy]ethoxy]propyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[3-[2-[2-[3-[[2-(methylamino)acetyl]amino]propoxy]ethoxy]ethoxy]propyl]acetamide is CNCC(=O)NCCCOCCOCCOCCCNC(=O)CNC.
What is the InChIKey of 2-(methylamino)-N-[3-[2-[2-[3-[[2-(methylamino)acetyl]amino]propoxy]ethoxy]ethoxy]propyl]acetamide?
The InChIKey is IGGHFIJJEZHSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O5/c1-17-13-15(21)19-5-3-7-23-9-11-25-12-10-24-8-4-6-20-16(22)14-18-2/h17-18H,3-14H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-(methylamino)-N-[3-[2-[2-[3-[[2-(methylamino)acetyl]amino]propoxy]ethoxy]ethoxy]propyl]acetamide?
2-(methylamino)-N-[3-[2-[2-[3-[[2-(methylamino)acetyl]amino]propoxy]ethoxy]ethoxy]propyl]acetamide has a molecular weight of 362.47 g/mol, XLogP of -1.51, 18 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[3-[2-[2-[3-[[2-(methylamino)acetyl]amino]propoxy]ethoxy]ethoxy]propyl]acetamide is sourced from PubChem (CID 89399442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).