N,N-bis(2-hydroxyethyl)-2,2-dimethyloctanamide

C14H29NO3 — CID 3023370

IUPACN,N-bis(2-hydroxyethyl)-2,2-dimethyloctanamide
SMILESCCCCCCC(C)(C)C(=O)N(CCO)CCO
InChIInChI=1S/C14H29NO3/c1-4-5-6-7-8-14(2,3)13(18)15(9-11-16)10-12-17/h16-17H,4-12H2,1-3H3
InChIKeyLHGRAIBWJITMAA-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.80
Rot. Bonds10

About N,N-bis(2-hydroxyethyl)-2,2-dimethyloctanamide

N,N-bis(2-hydroxyethyl)-2,2-dimethyloctanamide (PubChem CID 3023370) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-2,2-dimethyloctanamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-2,2-dimethyloctanamide
PubChem CID3023370
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC NameN,N-bis(2-hydroxyethyl)-2,2-dimethyloctanamide
SMILESCCCCCCC(C)(C)C(=O)N(CCO)CCO
InChIInChI=1S/C14H29NO3/c1-4-5-6-7-8-14(2,3)13(18)15(9-11-16)10-12-17/h16-17H,4-12H2,1-3H3
InChIKeyLHGRAIBWJITMAA-UHFFFAOYSA-N
XLogP1.80
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Lauric acid diethanolamide
CID 8430
N,N-Bis(2-hydroxyethyl)decanamide
CID 61081
N,N-Bis(2-hydroxyethyl)hexadecanamide
CID 82046
N,N-bis(2-hydroxyethyl)octanamide
CID 76499
N,N-Bis(2-hydroxyethyl)octadecanamide
CID 7163
Myristic acid diethanolamide
CID 82045
Isostearic diethanolamide
CID 104328
Behenoyl diethanolamide
CID 14455181
N-Methyl-N-hydroxyethylpelargonamide
CID 37196
Nonanamide, N,N-bis(2-hydroxyethyl)-
CID 76500
N-Hydroxyethyl-N-methylstearamide
CID 11067823
N-Hydroxyethyl-N-methyllauramide
CID 11737000

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-2,2-dimethyloctanamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-2,2-dimethyloctanamide (CID 3023370) is N,N-bis(2-hydroxyethyl)-2,2-dimethyloctanamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-2,2-dimethyloctanamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-2,2-dimethyloctanamide is CCCCCCC(C)(C)C(=O)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-2,2-dimethyloctanamide?
The InChIKey is LHGRAIBWJITMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-4-5-6-7-8-14(2,3)13(18)15(9-11-16)10-12-17/h16-17H,4-12H2,1-3H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-2,2-dimethyloctanamide?
N,N-bis(2-hydroxyethyl)-2,2-dimethyloctanamide has a molecular weight of 259.39 g/mol, XLogP of 1.80, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-2,2-dimethyloctanamide is sourced from PubChem (CID 3023370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).