N-methyl-6-oxo-N-propylhexanamide

C10H19NO2 — CID 142529602

IUPACN-methyl-6-oxo-N-propylhexanamide
SMILESCCCN(C)C(=O)CCCCC=O
InChIInChI=1S/C10H19NO2/c1-3-8-11(2)10(13)7-5-4-6-9-12/h9H,3-8H2,1-2H3
InChIKeyVFNTUERPHMDZIX-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.61
Rot. Bonds7

About N-methyl-6-oxo-N-propylhexanamide

N-methyl-6-oxo-N-propylhexanamide (PubChem CID 142529602) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-methyl-6-oxo-N-propylhexanamide.

Molecular Properties

Compound NameN-methyl-6-oxo-N-propylhexanamide
PubChem CID142529602
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-methyl-6-oxo-N-propylhexanamide
SMILESCCCN(C)C(=O)CCCCC=O
InChIInChI=1S/C10H19NO2/c1-3-8-11(2)10(13)7-5-4-6-9-12/h9H,3-8H2,1-2H3
InChIKeyVFNTUERPHMDZIX-UHFFFAOYSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-Dibutylhexanamide
CID 304113
N,N-Diethylhexanamide
CID 221977
Hexanamide, N,N-bis(2-hydroxyethyl)-
CID 110255
N,N-Dipropylhexanamide
CID 221999
6-Acetamidohexanal
CID 129896
Hexanamide, N-ethyl-N-pentyl-
CID 91693911
Hexanamide, N-ethyl-N-hexyl-
CID 91693923
Hexanamide, N-ethyl-N-heptyl-
CID 91693934
N-(2-hydroxyethyl)-N-methylhexanamide
CID 60740332
N,N,N',N'-tetraethylhexanediamide
CID 4418356
N,N-diethyl-6-oxohexanamide
CID 10899353
N-Methyl-N-butylhexanamide
CID 14950147

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-oxo-N-propylhexanamide?
The IUPAC name of N-methyl-6-oxo-N-propylhexanamide (CID 142529602) is N-methyl-6-oxo-N-propylhexanamide.
What is the SMILES notation for N-methyl-6-oxo-N-propylhexanamide?
The canonical SMILES for N-methyl-6-oxo-N-propylhexanamide is CCCN(C)C(=O)CCCCC=O.
What is the InChIKey of N-methyl-6-oxo-N-propylhexanamide?
The InChIKey is VFNTUERPHMDZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-8-11(2)10(13)7-5-4-6-9-12/h9H,3-8H2,1-2H3.
What are the key properties of N-methyl-6-oxo-N-propylhexanamide?
N-methyl-6-oxo-N-propylhexanamide has a molecular weight of 185.27 g/mol, XLogP of 1.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-oxo-N-propylhexanamide is sourced from PubChem (CID 142529602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).