N-[5-(methylamino)-6-oxoheptyl]-3-(2-propoxyethoxy)propanamide

C16H32N2O4 — CID 153475321

IUPACN-[5-(methylamino)-6-oxoheptyl]-3-(2-propoxyethoxy)propanamide
SMILESCCCOCCOCCC(=O)NCCCCC(NC)C(C)=O
InChIInChI=1S/C16H32N2O4/c1-4-10-21-12-13-22-11-8-16(20)18-9-6-5-7-15(17-3)14(2)19/h15,17H,4-13H2,1-3H3,(H,18,20)
InChIKeyXSACJIUGCGBLDN-UHFFFAOYSA-N
MW316.44 g/mol
LogP1.28
Rot. Bonds15

About N-[5-(methylamino)-6-oxoheptyl]-3-(2-propoxyethoxy)propanamide

N-[5-(methylamino)-6-oxoheptyl]-3-(2-propoxyethoxy)propanamide (PubChem CID 153475321) has the molecular formula C16H32N2O4 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-[5-(methylamino)-6-oxoheptyl]-3-(2-propoxyethoxy)propanamide.

Molecular Properties

Compound NameN-[5-(methylamino)-6-oxoheptyl]-3-(2-propoxyethoxy)propanamide
PubChem CID153475321
Molecular FormulaC16H32N2O4
Molecular Weight316.44 g/mol
Exact Mass316.24
IUPAC NameN-[5-(methylamino)-6-oxoheptyl]-3-(2-propoxyethoxy)propanamide
SMILESCCCOCCOCCC(=O)NCCCCC(NC)C(C)=O
InChIInChI=1S/C16H32N2O4/c1-4-10-21-12-13-22-11-8-16(20)18-9-6-5-7-15(17-3)14(2)19/h15,17H,4-13H2,1-3H3,(H,18,20)
InChIKeyXSACJIUGCGBLDN-UHFFFAOYSA-N
XLogP1.28
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3,3-dimethylbutoxy)ethoxy]-N-[(5S)-5-(methylamino)-6-oxoheptyl]propanamide
CID 171600339
N-[(5R)-5-(methylamino)-6-oxoheptyl]propanamide
CID 170089451
N-[1-amino-1-oxo-6-[3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]hexan-2-yl]dodecanamide
CID 87060981
2-[7-(carboxymethyl)-4-ethyl-10-[2-[2-[2-[2-[2-[3-[[5-(methylamino)-6-oxoheptyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 176567848
2-(methylamino)-6-[[2-[2-[2-[[2-[2-[2-[[2-[2-[2-[[2-[2-[2-[[2-[2-[2-[(2-propoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]hexanoic acid
CID 175629814
2-(hydroxymethylamino)-5-[2-[2-[2-[2-[2-[2-[[5-(methylamino)-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 123369218
3-(2-propoxyethoxy)-N-propylpropanamide
CID 163586322
2-methoxy-N-[5-(methylamino)-6-oxoheptyl]acetamide
CID 159874628
N-[(5S)-5-methyl-6-oxoheptyl]-2-[2-(4-oxo-5-propoxypentoxy)ethoxy]acetamide
CID 158573658
N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide
CID 167117369
18-[[1-carboxy-4-[2-[2-[2-[2-[2-[2-[[5-(methylamino)-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 123869942
6-[3-[2-[2-[3-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-2-(tetradecanoylamino)hexanoic acid
CID 156529854

Frequently Asked Questions

What is the IUPAC name of N-[5-(methylamino)-6-oxoheptyl]-3-(2-propoxyethoxy)propanamide?
The IUPAC name of N-[5-(methylamino)-6-oxoheptyl]-3-(2-propoxyethoxy)propanamide (CID 153475321) is N-[5-(methylamino)-6-oxoheptyl]-3-(2-propoxyethoxy)propanamide.
What is the SMILES notation for N-[5-(methylamino)-6-oxoheptyl]-3-(2-propoxyethoxy)propanamide?
The canonical SMILES for N-[5-(methylamino)-6-oxoheptyl]-3-(2-propoxyethoxy)propanamide is CCCOCCOCCC(=O)NCCCCC(NC)C(C)=O.
What is the InChIKey of N-[5-(methylamino)-6-oxoheptyl]-3-(2-propoxyethoxy)propanamide?
The InChIKey is XSACJIUGCGBLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O4/c1-4-10-21-12-13-22-11-8-16(20)18-9-6-5-7-15(17-3)14(2)19/h15,17H,4-13H2,1-3H3,(H,18,20).
What are the key properties of N-[5-(methylamino)-6-oxoheptyl]-3-(2-propoxyethoxy)propanamide?
N-[5-(methylamino)-6-oxoheptyl]-3-(2-propoxyethoxy)propanamide has a molecular weight of 316.44 g/mol, XLogP of 1.28, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methylamino)-6-oxoheptyl]-3-(2-propoxyethoxy)propanamide is sourced from PubChem (CID 153475321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).