2-methoxy-N-[5-(methylamino)-6-oxoheptyl]acetamide

C11H22N2O3 — CID 159874628

IUPAC2-methoxy-N-[5-(methylamino)-6-oxoheptyl]acetamide
SMILESCNC(CCCCNC(=O)COC)C(C)=O
InChIInChI=1S/C11H22N2O3/c1-9(14)10(12-2)6-4-5-7-13-11(15)8-16-3/h10,12H,4-8H2,1-3H3,(H,13,15)
InChIKeyNSTAMDOYUKHKOJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.10
Rot. Bonds9

About 2-methoxy-N-[5-(methylamino)-6-oxoheptyl]acetamide

2-methoxy-N-[5-(methylamino)-6-oxoheptyl]acetamide (PubChem CID 159874628) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-methoxy-N-[5-(methylamino)-6-oxoheptyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[5-(methylamino)-6-oxoheptyl]acetamide
PubChem CID159874628
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-methoxy-N-[5-(methylamino)-6-oxoheptyl]acetamide
SMILESCNC(CCCCNC(=O)COC)C(C)=O
InChIInChI=1S/C11H22N2O3/c1-9(14)10(12-2)6-4-5-7-13-11(15)8-16-3/h10,12H,4-8H2,1-3H3,(H,13,15)
InChIKeyNSTAMDOYUKHKOJ-UHFFFAOYSA-N
XLogP0.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5R)-5-(methylamino)-6-oxoheptyl]propanamide
CID 170089451
N-[5-(methylamino)-6-oxoheptyl]acetamide
CID 72531046
3-methyl-N-[(5S)-5-(methylamino)-6-oxoheptyl]butanamide
CID 170086271
(3R)-3,7-bis(methylamino)heptan-2-one
CID 91227284
N-butyl-2,6-bis[(2-methoxyacetyl)amino]hexanamide
CID 159839160
N-[5-(methylamino)-6-oxoheptyl]-3-(2-propoxyethoxy)propanamide
CID 153475321
2-methoxy-N-(6-methoxyhexyl)acetamide
CID 177338017
2,2-dimethyl-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane
CID 159495091
methyl 6-acetamido-2-(methylamino)hexanoate
CID 78438016
3-[2-(3,3-dimethylbutoxy)ethoxy]-N-[(5S)-5-(methylamino)-6-oxoheptyl]propanamide
CID 171600339
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
N-[5-(hydroxymethylamino)-6-oxoheptyl]-3-methoxypropanamide
CID 163428248

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-(methylamino)-6-oxoheptyl]acetamide?
The IUPAC name of 2-methoxy-N-[5-(methylamino)-6-oxoheptyl]acetamide (CID 159874628) is 2-methoxy-N-[5-(methylamino)-6-oxoheptyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[5-(methylamino)-6-oxoheptyl]acetamide?
The canonical SMILES for 2-methoxy-N-[5-(methylamino)-6-oxoheptyl]acetamide is CNC(CCCCNC(=O)COC)C(C)=O.
What is the InChIKey of 2-methoxy-N-[5-(methylamino)-6-oxoheptyl]acetamide?
The InChIKey is NSTAMDOYUKHKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-9(14)10(12-2)6-4-5-7-13-11(15)8-16-3/h10,12H,4-8H2,1-3H3,(H,13,15).
What are the key properties of 2-methoxy-N-[5-(methylamino)-6-oxoheptyl]acetamide?
2-methoxy-N-[5-(methylamino)-6-oxoheptyl]acetamide has a molecular weight of 230.31 g/mol, XLogP of 0.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-(methylamino)-6-oxoheptyl]acetamide is sourced from PubChem (CID 159874628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).