ethane;N-methyl-9-oxo-N-propylundecanamide

C17H35NO2 — CID 170584314

IUPACethane;N-methyl-9-oxo-N-propylundecanamide
SMILESCC.CCCN(C)C(=O)CCCCCCCC(=O)CC
InChIInChI=1S/C15H29NO2.C2H6/c1-4-13-16(3)15(18)12-10-8-6-7-9-11-14(17)5-2;1-2/h4-13H2,1-3H3;1-2H3
InChIKeyGMHPCPJWNOYHQF-UHFFFAOYSA-N
MW285.47 g/mol
LogP4.59
Rot. Bonds11

About ethane;N-methyl-9-oxo-N-propylundecanamide

ethane;N-methyl-9-oxo-N-propylundecanamide (PubChem CID 170584314) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is ethane;N-methyl-9-oxo-N-propylundecanamide.

Molecular Properties

Compound Nameethane;N-methyl-9-oxo-N-propylundecanamide
PubChem CID170584314
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Nameethane;N-methyl-9-oxo-N-propylundecanamide
SMILESCC.CCCN(C)C(=O)CCCCCCCC(=O)CC
InChIInChI=1S/C15H29NO2.C2H6/c1-4-13-16(3)15(18)12-10-8-6-7-9-11-14(17)5-2;1-2/h4-13H2,1-3H3;1-2H3
InChIKeyGMHPCPJWNOYHQF-UHFFFAOYSA-N
XLogP4.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-methylpropyl)-16-oxooctadecanamide
CID 156819631
N-methyl-N-octylnonanamide
CID 140654825
N-methyl-N-octylheptacosanamide
CID 87394998
methane;undecane-3,9-dione
CID 158816586
N-(3-aminopropyl)-N-methylheptanamide
CID 115737512
N-(3-hydroxypropyl)-N-methyldecanamide
CID 59366231
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160
tetracosane-3,13-dione
CID 143607999
decan-3-one;hydrochloride
CID 22446547
CID 88685642
CID 88685642
10-[methyl(pentyl)amino]-10-oxodecanoic acid
CID 143390074

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-9-oxo-N-propylundecanamide?
The IUPAC name of ethane;N-methyl-9-oxo-N-propylundecanamide (CID 170584314) is ethane;N-methyl-9-oxo-N-propylundecanamide.
What is the SMILES notation for ethane;N-methyl-9-oxo-N-propylundecanamide?
The canonical SMILES for ethane;N-methyl-9-oxo-N-propylundecanamide is CC.CCCN(C)C(=O)CCCCCCCC(=O)CC.
What is the InChIKey of ethane;N-methyl-9-oxo-N-propylundecanamide?
The InChIKey is GMHPCPJWNOYHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2.C2H6/c1-4-13-16(3)15(18)12-10-8-6-7-9-11-14(17)5-2;1-2/h4-13H2,1-3H3;1-2H3.
What are the key properties of ethane;N-methyl-9-oxo-N-propylundecanamide?
ethane;N-methyl-9-oxo-N-propylundecanamide has a molecular weight of 285.47 g/mol, XLogP of 4.59, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-9-oxo-N-propylundecanamide is sourced from PubChem (CID 170584314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).