N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]octanamide

C15H30N2O2 — CID 166884703

IUPACN-[2-[tert-butyl(methyl)amino]-2-oxoethyl]octanamide
SMILESCCCCCCCC(=O)NCC(=O)N(C)C(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-6-7-8-9-10-11-13(18)16-12-14(19)17(5)15(2,3)4/h6-12H2,1-5H3,(H,16,18)
InChIKeyADSYALJNHRASJG-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.72
Rot. Bonds8

About N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]octanamide

N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]octanamide (PubChem CID 166884703) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]octanamide.

Molecular Properties

Compound NameN-[2-[tert-butyl(methyl)amino]-2-oxoethyl]octanamide
PubChem CID166884703
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-[2-[tert-butyl(methyl)amino]-2-oxoethyl]octanamide
SMILESCCCCCCCC(=O)NCC(=O)N(C)C(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-6-7-8-9-10-11-13(18)16-12-14(19)17(5)15(2,3)4/h6-12H2,1-5H3,(H,16,18)
InChIKeyADSYALJNHRASJG-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.72
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-(hydroxymethyl)henicosanamide
CID 102116485
N-(5,5-dimethyl-2-oxohexyl)octanamide
CID 166884720
N-[2,2-dimethyl-3-(octanoylamino)propyl]octanamide
CID 5147569
sodium;hydride;methyl 2-(dodecanoylamino)acetate
CID 175291448
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-[(octadecanoylamino)methyl]tetracosanamide
CID 123600092
magnesium bis(2-(dodecanoylamino)acetate)
CID 140975792
potassium;hydride;2-(octadecanoylamino)acetic acid
CID 174739574
copper bis(2-(octanoylamino)acetate)
CID 88618270
sodium 2-(decanoylamino)acetate
CID 23716190

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]octanamide?
The IUPAC name of N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]octanamide (CID 166884703) is N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]octanamide.
What is the SMILES notation for N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]octanamide?
The canonical SMILES for N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]octanamide is CCCCCCCC(=O)NCC(=O)N(C)C(C)(C)C.
What is the InChIKey of N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]octanamide?
The InChIKey is ADSYALJNHRASJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-6-7-8-9-10-11-13(18)16-12-14(19)17(5)15(2,3)4/h6-12H2,1-5H3,(H,16,18).
What are the key properties of N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]octanamide?
N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]octanamide has a molecular weight of 270.42 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]octanamide is sourced from PubChem (CID 166884703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).