N,N-dimethyl-8-(3-octyloxiran-2-yl)octanamide

C20H39NO2 — CID 19889031

IUPACN,N-dimethyl-8-(3-octyloxiran-2-yl)octanamide
SMILESCCCCCCCCC1OC1CCCCCCCC(=O)N(C)C
InChIInChI=1S/C20H39NO2/c1-4-5-6-7-9-12-15-18-19(23-18)16-13-10-8-11-14-17-20(22)21(2)3/h18-19H,4-17H2,1-3H3
InChIKeySNQWKTOXNXLLPY-UHFFFAOYSA-N
MW325.54 g/mol
LogP5.32
Rot. Bonds15

About N,N-dimethyl-8-(3-octyloxiran-2-yl)octanamide

N,N-dimethyl-8-(3-octyloxiran-2-yl)octanamide (PubChem CID 19889031) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is N,N-dimethyl-8-(3-octyloxiran-2-yl)octanamide.

Molecular Properties

Compound NameN,N-dimethyl-8-(3-octyloxiran-2-yl)octanamide
PubChem CID19889031
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC NameN,N-dimethyl-8-(3-octyloxiran-2-yl)octanamide
SMILESCCCCCCCCC1OC1CCCCCCCC(=O)N(C)C
InChIInChI=1S/C20H39NO2/c1-4-5-6-7-9-12-15-18-19(23-18)16-13-10-8-11-14-17-20(22)21(2)3/h18-19H,4-17H2,1-3H3
InChIKeySNQWKTOXNXLLPY-UHFFFAOYSA-N
XLogP5.32
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591
N,N-dimethyloctadecanamide;hydrobromide
CID 174406080
N,N-dimethyldodecanamide;hydrochloride
CID 173149987
iron;bis(8-(3-octyloxiran-2-yl)octanoic acid)
CID 153323059
5-[(2R,3S)-3-undecyloxiran-2-yl]pentanoic acid
CID 656738
9-[(2S,3S)-3-heptyloxiran-2-yl]nonanoic acid
CID 98092610
azane;N,N-dimethyltetradecanamide;hydrochloride
CID 174348000
1-(3-pentyloxiran-2-yl)undecan-3-one
CID 88800789
(2S,3S)-2,3-dioctyloxirane
CID 71399050
(2S,3R)-2-nonyl-3-octyloxirane
CID 169439821
2-hexyl-3-pentadecyloxirane
CID 21447526
2-heptyl-3-octyloxirane
CID 57269313

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-(3-octyloxiran-2-yl)octanamide?
The IUPAC name of N,N-dimethyl-8-(3-octyloxiran-2-yl)octanamide (CID 19889031) is N,N-dimethyl-8-(3-octyloxiran-2-yl)octanamide.
What is the SMILES notation for N,N-dimethyl-8-(3-octyloxiran-2-yl)octanamide?
The canonical SMILES for N,N-dimethyl-8-(3-octyloxiran-2-yl)octanamide is CCCCCCCCC1OC1CCCCCCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-8-(3-octyloxiran-2-yl)octanamide?
The InChIKey is SNQWKTOXNXLLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO2/c1-4-5-6-7-9-12-15-18-19(23-18)16-13-10-8-11-14-17-20(22)21(2)3/h18-19H,4-17H2,1-3H3.
What are the key properties of N,N-dimethyl-8-(3-octyloxiran-2-yl)octanamide?
N,N-dimethyl-8-(3-octyloxiran-2-yl)octanamide has a molecular weight of 325.54 g/mol, XLogP of 5.32, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-(3-octyloxiran-2-yl)octanamide is sourced from PubChem (CID 19889031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).