N-(12-oxotridecyl)propanamide

C16H31NO2 — CID 171540592

IUPACN-(12-oxotridecyl)propanamide
SMILESCCC(=O)NCCCCCCCCCCCC(C)=O
InChIInChI=1S/C16H31NO2/c1-3-16(19)17-14-12-10-8-6-4-5-7-9-11-13-15(2)18/h3-14H2,1-2H3,(H,17,19)
InChIKeyLLMBNXPRACXGFK-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.00
Rot. Bonds13

About N-(12-oxotridecyl)propanamide

N-(12-oxotridecyl)propanamide (PubChem CID 171540592) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-(12-oxotridecyl)propanamide.

Molecular Properties

Compound NameN-(12-oxotridecyl)propanamide
PubChem CID171540592
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-(12-oxotridecyl)propanamide
SMILESCCC(=O)NCCCCCCCCCCCC(C)=O
InChIInChI=1S/C16H31NO2/c1-3-16(19)17-14-12-10-8-6-4-5-7-9-11-13-15(2)18/h3-14H2,1-2H3,(H,17,19)
InChIKeyLLMBNXPRACXGFK-UHFFFAOYSA-N
XLogP4.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.00
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-(10-oxoundecyl)dodecanamide
CID 171771299
ethane;N-(6-oxoheptyl)butanamide
CID 143878068
N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane
CID 145408136
11-(propanoylamino)undecanamide
CID 89244012
N-butyl-7-oxooctanamide
CID 153419892
ethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid
CID 156732103
N-butyl-12-oxotridecanamide
CID 158110868
N-(8-oxononyl)acetamide
CID 58114719
ethane;N-pentyl-6-(propanoylamino)hexanamide
CID 166555695
ethane;N-methyl-6-(propanoylamino)hexanamide
CID 145098119
12-oxo-N-propyltridecanamide
CID 135223938
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439

Frequently Asked Questions

What is the IUPAC name of N-(12-oxotridecyl)propanamide?
The IUPAC name of N-(12-oxotridecyl)propanamide (CID 171540592) is N-(12-oxotridecyl)propanamide.
What is the SMILES notation for N-(12-oxotridecyl)propanamide?
The canonical SMILES for N-(12-oxotridecyl)propanamide is CCC(=O)NCCCCCCCCCCCC(C)=O.
What is the InChIKey of N-(12-oxotridecyl)propanamide?
The InChIKey is LLMBNXPRACXGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-3-16(19)17-14-12-10-8-6-4-5-7-9-11-13-15(2)18/h3-14H2,1-2H3,(H,17,19).
What are the key properties of N-(12-oxotridecyl)propanamide?
N-(12-oxotridecyl)propanamide has a molecular weight of 269.43 g/mol, XLogP of 4.00, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(12-oxotridecyl)propanamide is sourced from PubChem (CID 171540592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).