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

C10H20N2O2 — CID 72531046

IUPACN-[5-(methylamino)-6-oxoheptyl]acetamide
SMILESCNC(CCCCNC(C)=O)C(C)=O
InChIInChI=1S/C10H20N2O2/c1-8(13)10(11-3)6-4-5-7-12-9(2)14/h10-11H,4-7H2,1-3H3,(H,12,14)
InChIKeyUXWJJGZANMNFBJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.47
Rot. Bonds7

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

N-[5-(methylamino)-6-oxoheptyl]acetamide (PubChem CID 72531046) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-[5-(methylamino)-6-oxoheptyl]acetamide.

Molecular Properties

Compound NameN-[5-(methylamino)-6-oxoheptyl]acetamide
PubChem CID72531046
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN-[5-(methylamino)-6-oxoheptyl]acetamide
SMILESCNC(CCCCNC(C)=O)C(C)=O
InChIInChI=1S/C10H20N2O2/c1-8(13)10(11-3)6-4-5-7-12-9(2)14/h10-11H,4-7H2,1-3H3,(H,12,14)
InChIKeyUXWJJGZANMNFBJ-UHFFFAOYSA-N
XLogP0.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-acetamido-2-amino-N-[5-(methylamino)-6-oxoheptyl]pentanamide
CID 126757813
(3R)-3,7-bis(methylamino)heptan-2-one
CID 91227284
methyl 6-acetamido-2-(methylamino)hexanoate
CID 78438016
N-[(5R)-5-(methylamino)-6-oxoheptyl]propanamide
CID 170089451
7-acetamido-N-methyl-2-(methylamino)heptanamide
CID 129308900
N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]acetamide
CID 134583654
2,2-dimethyl-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane
CID 159495091
3-methyl-N-[(5S)-5-(methylamino)-6-oxoheptyl]butanamide
CID 170086271
3-[[6-(acetylamino)-2-((113C)methylamino)hexanoyl]amino]propanoic acid
CID 162702217
2-methoxy-N-[5-(methylamino)-6-oxoheptyl]acetamide
CID 159874628
3-(methylamino)nonan-2-one
CID 21024660
7-(2,2-dimethylpropylamino)-3-(methylamino)heptan-2-one
CID 131998735

Frequently Asked Questions

What is the IUPAC name of N-[5-(methylamino)-6-oxoheptyl]acetamide?
The IUPAC name of N-[5-(methylamino)-6-oxoheptyl]acetamide (CID 72531046) is N-[5-(methylamino)-6-oxoheptyl]acetamide.
What is the SMILES notation for N-[5-(methylamino)-6-oxoheptyl]acetamide?
The canonical SMILES for N-[5-(methylamino)-6-oxoheptyl]acetamide is CNC(CCCCNC(C)=O)C(C)=O.
What is the InChIKey of N-[5-(methylamino)-6-oxoheptyl]acetamide?
The InChIKey is UXWJJGZANMNFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(13)10(11-3)6-4-5-7-12-9(2)14/h10-11H,4-7H2,1-3H3,(H,12,14).
What are the key properties of N-[5-(methylamino)-6-oxoheptyl]acetamide?
N-[5-(methylamino)-6-oxoheptyl]acetamide has a molecular weight of 200.28 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methylamino)-6-oxoheptyl]acetamide is sourced from PubChem (CID 72531046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).