N-[3-(tert-butylamino)propyl]-8,8-dimethyl-6-oxononanamide

C18H36N2O2 — CID 130398409

IUPACN-[3-(tert-butylamino)propyl]-8,8-dimethyl-6-oxononanamide
SMILESCC(C)(C)CC(=O)CCCCC(=O)NCCCNC(C)(C)C
InChIInChI=1S/C18H36N2O2/c1-17(2,3)14-15(21)10-7-8-11-16(22)19-12-9-13-20-18(4,5)6/h20H,7-14H2,1-6H3,(H,19,22)
InChIKeyCGICBMGOFQVAOR-UHFFFAOYSA-N
MW312.50 g/mol
LogP3.45
Rot. Bonds10

About N-[3-(tert-butylamino)propyl]-8,8-dimethyl-6-oxononanamide

N-[3-(tert-butylamino)propyl]-8,8-dimethyl-6-oxononanamide (PubChem CID 130398409) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is N-[3-(tert-butylamino)propyl]-8,8-dimethyl-6-oxononanamide.

Molecular Properties

Compound NameN-[3-(tert-butylamino)propyl]-8,8-dimethyl-6-oxononanamide
PubChem CID130398409
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC NameN-[3-(tert-butylamino)propyl]-8,8-dimethyl-6-oxononanamide
SMILESCC(C)(C)CC(=O)CCCCC(=O)NCCCNC(C)(C)C
InChIInChI=1S/C18H36N2O2/c1-17(2,3)14-15(21)10-7-8-11-16(22)19-12-9-13-20-18(4,5)6/h20H,7-14H2,1-6H3,(H,19,22)
InChIKeyCGICBMGOFQVAOR-UHFFFAOYSA-N
XLogP3.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 53.45
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

3-(tert-butylamino)-N-(11,11-dimethyl-8-oxododecyl)propanamide
CID 164953894
2,2,14,14-tetramethylpentadecane-4,12-dione
CID 158540576
N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162
1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea
CID 159147171
N'-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide
CID 88902416
3-(tert-butylamino)-N-(4-methylpentyl)propanamide
CID 61044511
N-[3-(triacontanoylamino)propyl]triacontanamide
CID 89373214
N-[4-(tert-butylamino)butyl]acetamide
CID 139573721
3-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-(4,4-dimethylpentyl)propanamide
CID 166976016
N-(8-oxotridecyl)hexanamide
CID 148531467
N-butyl-10,10-dimethylundecanamide
CID 19922141
N-(5,5-dimethyl-3-oxohexyl)-3-methylbutanamide
CID 158833418

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylamino)propyl]-8,8-dimethyl-6-oxononanamide?
The IUPAC name of N-[3-(tert-butylamino)propyl]-8,8-dimethyl-6-oxononanamide (CID 130398409) is N-[3-(tert-butylamino)propyl]-8,8-dimethyl-6-oxononanamide.
What is the SMILES notation for N-[3-(tert-butylamino)propyl]-8,8-dimethyl-6-oxononanamide?
The canonical SMILES for N-[3-(tert-butylamino)propyl]-8,8-dimethyl-6-oxononanamide is CC(C)(C)CC(=O)CCCCC(=O)NCCCNC(C)(C)C.
What is the InChIKey of N-[3-(tert-butylamino)propyl]-8,8-dimethyl-6-oxononanamide?
The InChIKey is CGICBMGOFQVAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-17(2,3)14-15(21)10-7-8-11-16(22)19-12-9-13-20-18(4,5)6/h20H,7-14H2,1-6H3,(H,19,22).
What are the key properties of N-[3-(tert-butylamino)propyl]-8,8-dimethyl-6-oxononanamide?
N-[3-(tert-butylamino)propyl]-8,8-dimethyl-6-oxononanamide has a molecular weight of 312.50 g/mol, XLogP of 3.45, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylamino)propyl]-8,8-dimethyl-6-oxononanamide is sourced from PubChem (CID 130398409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).