7-acetamido-N-methyl-2-(methylamino)heptanamide

C11H23N3O2 — CID 129308900

IUPAC7-acetamido-N-methyl-2-(methylamino)heptanamide
SMILESCNC(=O)C(CCCCCNC(C)=O)NC
InChIInChI=1S/C11H23N3O2/c1-9(15)14-8-6-4-5-7-10(12-2)11(16)13-3/h10,12H,4-8H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyBJDYZRFDHYTVLS-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.02
Rot. Bonds8

About 7-acetamido-N-methyl-2-(methylamino)heptanamide

7-acetamido-N-methyl-2-(methylamino)heptanamide (PubChem CID 129308900) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 7-acetamido-N-methyl-2-(methylamino)heptanamide.

Molecular Properties

Compound Name7-acetamido-N-methyl-2-(methylamino)heptanamide
PubChem CID129308900
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name7-acetamido-N-methyl-2-(methylamino)heptanamide
SMILESCNC(=O)C(CCCCCNC(C)=O)NC
InChIInChI=1S/C11H23N3O2/c1-9(15)14-8-6-4-5-7-10(12-2)11(16)13-3/h10,12H,4-8H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyBJDYZRFDHYTVLS-UHFFFAOYSA-N
XLogP0.02
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(methylamino)-6-oxoheptyl]acetamide
CID 72531046
3-[[6-(acetylamino)-2-((113C)methylamino)hexanoyl]amino]propanoic acid
CID 162702217
methyl 6-acetamido-2-(methylamino)hexanoate
CID 78438016
2-acetamido-6-(carbamoylamino)-N-methylhexanamide
CID 177168522
5-acetamido-2-amino-N-[5-(methylamino)-6-oxoheptyl]pentanamide
CID 126757813
ethane;N-(6-methylheptyl)acetamide;molecular hydrogen
CID 145404699
2-acetamido-N-methyl-6-(methylamino)hexanamide;ethane
CID 171511904
acetic acid;6-(acetylamino)-2-(dimethylamino)-N-(113C)methylhexan(15N)amide
CID 157202604
6-acetamido-2-(dimethylamino)-N-(113C)methylhexan(15N)amide;acetic acid
CID 157202614
N-[6-(heptylamino)-5-(methylamino)-6-oxohexyl]hexadecanamide
CID 162524665
methyl 4-[[(5S)-5-acetamido-6-(methylamino)-6-oxohexyl]amino]-4-oxobutanoate
CID 161373398
2,6-diacetamidohexanoate
CID 78438708

Frequently Asked Questions

What is the IUPAC name of 7-acetamido-N-methyl-2-(methylamino)heptanamide?
The IUPAC name of 7-acetamido-N-methyl-2-(methylamino)heptanamide (CID 129308900) is 7-acetamido-N-methyl-2-(methylamino)heptanamide.
What is the SMILES notation for 7-acetamido-N-methyl-2-(methylamino)heptanamide?
The canonical SMILES for 7-acetamido-N-methyl-2-(methylamino)heptanamide is CNC(=O)C(CCCCCNC(C)=O)NC.
What is the InChIKey of 7-acetamido-N-methyl-2-(methylamino)heptanamide?
The InChIKey is BJDYZRFDHYTVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9(15)14-8-6-4-5-7-10(12-2)11(16)13-3/h10,12H,4-8H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 7-acetamido-N-methyl-2-(methylamino)heptanamide?
7-acetamido-N-methyl-2-(methylamino)heptanamide has a molecular weight of 229.32 g/mol, XLogP of 0.02, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetamido-N-methyl-2-(methylamino)heptanamide is sourced from PubChem (CID 129308900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).