5-bromo-N-[3-(tert-butylamino)-3-oxopropyl]pentanamide

C12H23BrN2O2 — CID 107910537

IUPAC5-bromo-N-[3-(tert-butylamino)-3-oxopropyl]pentanamide
SMILESCC(C)(C)NC(=O)CCNC(=O)CCCCBr
InChIInChI=1S/C12H23BrN2O2/c1-12(2,3)15-11(17)7-9-14-10(16)6-4-5-8-13/h4-9H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyGRJVBEYIVVBUEC-UHFFFAOYSA-N
MW307.23 g/mol
LogP1.97
Rot. Bonds7

About 5-bromo-N-[3-(tert-butylamino)-3-oxopropyl]pentanamide

5-bromo-N-[3-(tert-butylamino)-3-oxopropyl]pentanamide (PubChem CID 107910537) has the molecular formula C12H23BrN2O2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 5-bromo-N-[3-(tert-butylamino)-3-oxopropyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[3-(tert-butylamino)-3-oxopropyl]pentanamide
PubChem CID107910537
Molecular FormulaC12H23BrN2O2
Molecular Weight307.23 g/mol
Exact Mass306.09
IUPAC Name5-bromo-N-[3-(tert-butylamino)-3-oxopropyl]pentanamide
SMILESCC(C)(C)NC(=O)CCNC(=O)CCCCBr
InChIInChI=1S/C12H23BrN2O2/c1-12(2,3)15-11(17)7-9-14-10(16)6-4-5-8-13/h4-9H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyGRJVBEYIVVBUEC-UHFFFAOYSA-N
XLogP1.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-ditert-butylhexanediamide
CID 3593481
N-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide
CID 176837103
11-bromo-N-[6-(11-bromoundecanoylamino)hexyl]undecanamide
CID 87848232
5-bromo-N-[(E)-pent-3-enyl]pentanamide
CID 107910578
5-bromo-N-[2-(dimethylcarbamoylamino)ethyl]pentanamide
CID 107910490
5-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pentanamide
CID 107910640
5-bromo-N-(3-hydroxybutyl)pentanamide
CID 107910185
N'-tert-butyl-N-[2-(3,3-dimethylbutanoylamino)ethyl]butanediamide
CID 134443497
5-bromo-N-[4-(dimethylamino)butyl]pentanamide
CID 107909932
N-tert-butyl-4-hydroxybutanamide
CID 11829724
N-tert-butyl-11,11-dimethyl-10-oxododecanamide
CID 176809093
N-[2-[2-[2-[2-[3-(tert-butylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,6-dimethylheptanamide
CID 90290747

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(tert-butylamino)-3-oxopropyl]pentanamide?
The IUPAC name of 5-bromo-N-[3-(tert-butylamino)-3-oxopropyl]pentanamide (CID 107910537) is 5-bromo-N-[3-(tert-butylamino)-3-oxopropyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[3-(tert-butylamino)-3-oxopropyl]pentanamide?
The canonical SMILES for 5-bromo-N-[3-(tert-butylamino)-3-oxopropyl]pentanamide is CC(C)(C)NC(=O)CCNC(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-[3-(tert-butylamino)-3-oxopropyl]pentanamide?
The InChIKey is GRJVBEYIVVBUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrN2O2/c1-12(2,3)15-11(17)7-9-14-10(16)6-4-5-8-13/h4-9H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 5-bromo-N-[3-(tert-butylamino)-3-oxopropyl]pentanamide?
5-bromo-N-[3-(tert-butylamino)-3-oxopropyl]pentanamide has a molecular weight of 307.23 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(tert-butylamino)-3-oxopropyl]pentanamide is sourced from PubChem (CID 107910537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).