2-oxo-N,N-dipentylacetamide

C12H23NO2 — CID 173270633

IUPAC2-oxo-N,N-dipentylacetamide
SMILESCCCCCN(CCCCC)C(=O)C=O
InChIInChI=1S/C12H23NO2/c1-3-5-7-9-13(12(15)11-14)10-8-6-4-2/h11H,3-10H2,1-2H3
InChIKeyRQCRDOUUWJVWND-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.39
Rot. Bonds9

About 2-oxo-N,N-dipentylacetamide

2-oxo-N,N-dipentylacetamide (PubChem CID 173270633) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-oxo-N,N-dipentylacetamide.

Molecular Properties

Compound Name2-oxo-N,N-dipentylacetamide
PubChem CID173270633
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-oxo-N,N-dipentylacetamide
SMILESCCCCCN(CCCCC)C(=O)C=O
InChIInChI=1S/C12H23NO2/c1-3-5-7-9-13(12(15)11-14)10-8-6-4-2/h11H,3-10H2,1-2H3
InChIKeyRQCRDOUUWJVWND-UHFFFAOYSA-N
XLogP2.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.39
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'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(E)-N,N,N',N'-tetrahexylbut-2-enediamide
CID 91739801
(Z)-4-(dioctadecylamino)-4-oxobut-2-enoic acid
CID 88519286
N,N-dibutylpent-2-enamide
CID 154390041
N,N,N',N'-tetrahexyloxamide
CID 6424911
N,N-di(icosyl)acetamide
CID 57063838
hexyl(octadecyl)carbamic acid
CID 87702094
N-heptadecyl-N-tridecylacetamide
CID 172567567
N,N-di(pentadecyl)acetamide
CID 174726671
(Z)-4-[decyl(2-hydroxyethyl)amino]-4-oxobut-2-enoic acid
CID 18527110
1-[6-[carbamoyl(octadecyl)amino]hexyl]-1-octadecylurea
CID 87213493
N-butyl-N-heptylacetamide
CID 91713167
di(undecyl)carbamothioic S-acid
CID 87619632

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N,N-dipentylacetamide?
The IUPAC name of 2-oxo-N,N-dipentylacetamide (CID 173270633) is 2-oxo-N,N-dipentylacetamide.
What is the SMILES notation for 2-oxo-N,N-dipentylacetamide?
The canonical SMILES for 2-oxo-N,N-dipentylacetamide is CCCCCN(CCCCC)C(=O)C=O.
What is the InChIKey of 2-oxo-N,N-dipentylacetamide?
The InChIKey is RQCRDOUUWJVWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-5-7-9-13(12(15)11-14)10-8-6-4-2/h11H,3-10H2,1-2H3.
What are the key properties of 2-oxo-N,N-dipentylacetamide?
2-oxo-N,N-dipentylacetamide has a molecular weight of 213.32 g/mol, XLogP of 2.39, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N,N-dipentylacetamide is sourced from PubChem (CID 173270633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).