methane;2-methyl-N-[1-[3-[2-[3-(methylamino)propoxy]ethoxy]propylamino]-1-oxopropan-2-yl]propanamide

C17H37N3O4 — CID 158950751

IUPACmethane;2-methyl-N-[1-[3-[2-[3-(methylamino)propoxy]ethoxy]propylamino]-1-oxopropan-2-yl]propanamide
SMILESC.CNCCCOCCOCCCNC(=O)C(C)NC(=O)C(C)C
InChIInChI=1S/C16H33N3O4.CH4/c1-13(2)15(20)19-14(3)16(21)18-8-6-10-23-12-11-22-9-5-7-17-4;/h13-14,17H,5-12H2,1-4H3,(H,18,21)(H,19,20);1H4
InChIKeyJLJXAUAPZZLDKT-UHFFFAOYSA-N
MW347.50 g/mol
LogP0.93
Rot. Bonds14

About methane;2-methyl-N-[1-[3-[2-[3-(methylamino)propoxy]ethoxy]propylamino]-1-oxopropan-2-yl]propanamide

methane;2-methyl-N-[1-[3-[2-[3-(methylamino)propoxy]ethoxy]propylamino]-1-oxopropan-2-yl]propanamide (PubChem CID 158950751) has the molecular formula C17H37N3O4 and a molecular weight of 347.50 g/mol. Its IUPAC name is methane;2-methyl-N-[1-[3-[2-[3-(methylamino)propoxy]ethoxy]propylamino]-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound Namemethane;2-methyl-N-[1-[3-[2-[3-(methylamino)propoxy]ethoxy]propylamino]-1-oxopropan-2-yl]propanamide
PubChem CID158950751
Molecular FormulaC17H37N3O4
Molecular Weight347.50 g/mol
Exact Mass347.28
IUPAC Namemethane;2-methyl-N-[1-[3-[2-[3-(methylamino)propoxy]ethoxy]propylamino]-1-oxopropan-2-yl]propanamide
SMILESC.CNCCCOCCOCCCNC(=O)C(C)NC(=O)C(C)C
InChIInChI=1S/C16H33N3O4.CH4/c1-13(2)15(20)19-14(3)16(21)18-8-6-10-23-12-11-22-9-5-7-17-4;/h13-14,17H,5-12H2,1-4H3,(H,18,21)(H,19,20);1H4
InChIKeyJLJXAUAPZZLDKT-UHFFFAOYSA-N
XLogP0.93
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 50.93
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

ethane;2-methyl-N-[3-[3-(methylamino)propoxy]propyl]propanamide
CID 156795155
2-methyl-N-[5-[5-(methylamino)pentoxy]pentyl]propanamide
CID 156794993
2-methyl-N-[4-(methylamino)butyl]propanamide
CID 134337431
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propanamide
CID 138727288
N-[3-[3-(ethylamino)propoxy]propyl]-2-methylpropanamide
CID 167107449
2-methyl-N-[3-(2-methylpropoxy)propyl]propanamide
CID 60714986
1-ethyl-3-[3-[3-(methylamino)propoxy]propyl]urea
CID 22381303
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584
2-(methylamino)-N-[3-[2-[2-[3-[[2-(methylamino)acetyl]amino]propoxy]ethoxy]ethoxy]propyl]acetamide
CID 89399442
(2S)-N-(3-butoxypropyl)-2-chloropropanamide
CID 92660561
N-[2-fluoro-4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
CID 166118081
ethane;N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 153390518

Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-N-[1-[3-[2-[3-(methylamino)propoxy]ethoxy]propylamino]-1-oxopropan-2-yl]propanamide?
The IUPAC name of methane;2-methyl-N-[1-[3-[2-[3-(methylamino)propoxy]ethoxy]propylamino]-1-oxopropan-2-yl]propanamide (CID 158950751) is methane;2-methyl-N-[1-[3-[2-[3-(methylamino)propoxy]ethoxy]propylamino]-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for methane;2-methyl-N-[1-[3-[2-[3-(methylamino)propoxy]ethoxy]propylamino]-1-oxopropan-2-yl]propanamide?
The canonical SMILES for methane;2-methyl-N-[1-[3-[2-[3-(methylamino)propoxy]ethoxy]propylamino]-1-oxopropan-2-yl]propanamide is C.CNCCCOCCOCCCNC(=O)C(C)NC(=O)C(C)C.
What is the InChIKey of methane;2-methyl-N-[1-[3-[2-[3-(methylamino)propoxy]ethoxy]propylamino]-1-oxopropan-2-yl]propanamide?
The InChIKey is JLJXAUAPZZLDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O4.CH4/c1-13(2)15(20)19-14(3)16(21)18-8-6-10-23-12-11-22-9-5-7-17-4;/h13-14,17H,5-12H2,1-4H3,(H,18,21)(H,19,20);1H4.
What are the key properties of methane;2-methyl-N-[1-[3-[2-[3-(methylamino)propoxy]ethoxy]propylamino]-1-oxopropan-2-yl]propanamide?
methane;2-methyl-N-[1-[3-[2-[3-(methylamino)propoxy]ethoxy]propylamino]-1-oxopropan-2-yl]propanamide has a molecular weight of 347.50 g/mol, XLogP of 0.93, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-N-[1-[3-[2-[3-(methylamino)propoxy]ethoxy]propylamino]-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 158950751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).