3-(tert-butylamino)-N-(11,11-dimethyl-8-oxododecyl)propanamide

C21H42N2O2 — CID 164953894

IUPAC3-(tert-butylamino)-N-(11,11-dimethyl-8-oxododecyl)propanamide
SMILESCC(C)(C)CCC(=O)CCCCCCCNC(=O)CCNC(C)(C)C
InChIInChI=1S/C21H42N2O2/c1-20(2,3)15-13-18(24)12-10-8-7-9-11-16-22-19(25)14-17-23-21(4,5)6/h23H,7-17H2,1-6H3,(H,22,25)
InChIKeyDCHCUGYCQALDBN-UHFFFAOYSA-N
MW354.58 g/mol
LogP4.62
Rot. Bonds13

About 3-(tert-butylamino)-N-(11,11-dimethyl-8-oxododecyl)propanamide

3-(tert-butylamino)-N-(11,11-dimethyl-8-oxododecyl)propanamide (PubChem CID 164953894) has the molecular formula C21H42N2O2 and a molecular weight of 354.58 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(11,11-dimethyl-8-oxododecyl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(11,11-dimethyl-8-oxododecyl)propanamide
PubChem CID164953894
Molecular FormulaC21H42N2O2
Molecular Weight354.58 g/mol
Exact Mass354.32
IUPAC Name3-(tert-butylamino)-N-(11,11-dimethyl-8-oxododecyl)propanamide
SMILESCC(C)(C)CCC(=O)CCCCCCCNC(=O)CCNC(C)(C)C
InChIInChI=1S/C21H42N2O2/c1-20(2,3)15-13-18(24)12-10-8-7-9-11-16-22-19(25)14-17-23-21(4,5)6/h23H,7-17H2,1-6H3,(H,22,25)
InChIKeyDCHCUGYCQALDBN-UHFFFAOYSA-N
XLogP4.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.58
LogP ≤ 54.62
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

tert-butyl 13-(4,4-dimethylpentanoylamino)-8-oxotridecanoate
CID 149247722
N-[3-(tert-butylamino)propyl]-8,8-dimethyl-6-oxononanamide
CID 130398409
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162
N-(3,3-dimethylbutyl)-11,11-dimethyl-4-oxododecanamide
CID 165080443
N'-(7,7-dimethyloctyl)-12-oxo-N-propan-2-ylpentacosanediamide
CID 163866236
N'-(7,7-dimethyloctyl)-N-methyldecanediamide
CID 167085333
3-(tert-butylamino)-N-(4-methylpentyl)propanamide
CID 61044511
N-decyl-7,7-dimethyloctanamide
CID 139961894
N-(5,5-dimethyl-2-oxohexyl)octanamide
CID 166884720
N-(5,5-dimethylhexyl)-7-iodo-7-methyloctanamide
CID 155298915
N-(8-oxotridecyl)hexanamide
CID 148531467

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(11,11-dimethyl-8-oxododecyl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(11,11-dimethyl-8-oxododecyl)propanamide (CID 164953894) is 3-(tert-butylamino)-N-(11,11-dimethyl-8-oxododecyl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(11,11-dimethyl-8-oxododecyl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(11,11-dimethyl-8-oxododecyl)propanamide is CC(C)(C)CCC(=O)CCCCCCCNC(=O)CCNC(C)(C)C.
What is the InChIKey of 3-(tert-butylamino)-N-(11,11-dimethyl-8-oxododecyl)propanamide?
The InChIKey is DCHCUGYCQALDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O2/c1-20(2,3)15-13-18(24)12-10-8-7-9-11-16-22-19(25)14-17-23-21(4,5)6/h23H,7-17H2,1-6H3,(H,22,25).
What are the key properties of 3-(tert-butylamino)-N-(11,11-dimethyl-8-oxododecyl)propanamide?
3-(tert-butylamino)-N-(11,11-dimethyl-8-oxododecyl)propanamide has a molecular weight of 354.58 g/mol, XLogP of 4.62, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(11,11-dimethyl-8-oxododecyl)propanamide is sourced from PubChem (CID 164953894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).