N-(5-methyl-6-oxoheptyl)propanamide

C11H21NO2 — CID 76588295

IUPACN-(5-methyl-6-oxoheptyl)propanamide
SMILESCCC(=O)NCCCCC(C)C(C)=O
InChIInChI=1S/C11H21NO2/c1-4-11(14)12-8-6-5-7-9(2)10(3)13/h9H,4-8H2,1-3H3,(H,12,14)
InChIKeyISLNQXZGWDTXJW-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.91
Rot. Bonds7

About N-(5-methyl-6-oxoheptyl)propanamide

N-(5-methyl-6-oxoheptyl)propanamide (PubChem CID 76588295) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(5-methyl-6-oxoheptyl)propanamide.

Molecular Properties

Compound NameN-(5-methyl-6-oxoheptyl)propanamide
PubChem CID76588295
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(5-methyl-6-oxoheptyl)propanamide
SMILESCCC(=O)NCCCCC(C)C(C)=O
InChIInChI=1S/C11H21NO2/c1-4-11(14)12-8-6-5-7-9(2)10(3)13/h9H,4-8H2,1-3H3,(H,12,14)
InChIKeyISLNQXZGWDTXJW-UHFFFAOYSA-N
XLogP1.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(6-hydroxyheptyl)propanamide
CID 91284740
ethane;methane;N-[5-(propanoylamino)hexyl]propanamide
CID 159658097
N-(4-methylpentyl)propanamide
CID 54140551
2-iodo-N-[(5S)-5-[(2-iodoacetyl)amino]-6-oxoheptyl]acetamide
CID 118136970
(4S)-4-[[(1S)-1-carboxy-5-(propanoylamino)pentyl]carbamoylamino]-5-oxohexanoic acid
CID 170409546
6-(propanoylamino)-2-[[2-(propanoylamino)acetyl]amino]hexanamide
CID 59492094
N-(4-hydroxypentyl)propanamide
CID 107299540
16-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(5S)-5-methyl-6-oxoheptyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-16-oxohexadecanoic acid
CID 118070991
(3R)-3-methyloctan-2-one
CID 158725350
N-(5,6-dihydroxyhexyl)propanamide;ethane
CID 156842187
(2S)-2-[[(1S)-1-carboxy-5-(propanoylamino)pentyl]carbamoylamino]pentanedioic acid
CID 118400178

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-6-oxoheptyl)propanamide?
The IUPAC name of N-(5-methyl-6-oxoheptyl)propanamide (CID 76588295) is N-(5-methyl-6-oxoheptyl)propanamide.
What is the SMILES notation for N-(5-methyl-6-oxoheptyl)propanamide?
The canonical SMILES for N-(5-methyl-6-oxoheptyl)propanamide is CCC(=O)NCCCCC(C)C(C)=O.
What is the InChIKey of N-(5-methyl-6-oxoheptyl)propanamide?
The InChIKey is ISLNQXZGWDTXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-11(14)12-8-6-5-7-9(2)10(3)13/h9H,4-8H2,1-3H3,(H,12,14).
What are the key properties of N-(5-methyl-6-oxoheptyl)propanamide?
N-(5-methyl-6-oxoheptyl)propanamide has a molecular weight of 199.29 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-6-oxoheptyl)propanamide is sourced from PubChem (CID 76588295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).