2-bromo-N,N-di(nonyl)propanamide

C21H42BrNO — CID 533075

IUPAC2-bromo-N,N-di(nonyl)propanamide
SMILESCCCCCCCCCN(CCCCCCCCC)C(=O)C(C)Br
InChIInChI=1S/C21H42BrNO/c1-4-6-8-10-12-14-16-18-23(21(24)20(3)22)19-17-15-13-11-9-7-5-2/h20H,4-19H2,1-3H3
InChIKeyPHNYWZMKBRFRJU-UHFFFAOYSA-N
MW404.48 g/mol
LogP7.10
Rot. Bonds17

About 2-bromo-N,N-di(nonyl)propanamide

2-bromo-N,N-di(nonyl)propanamide (PubChem CID 533075) has the molecular formula C21H42BrNO and a molecular weight of 404.48 g/mol. Its IUPAC name is 2-bromo-N,N-di(nonyl)propanamide.

Molecular Properties

Compound Name2-bromo-N,N-di(nonyl)propanamide
PubChem CID533075
Molecular FormulaC21H42BrNO
Molecular Weight404.48 g/mol
Exact Mass403.24
IUPAC Name2-bromo-N,N-di(nonyl)propanamide
SMILESCCCCCCCCCN(CCCCCCCCC)C(=O)C(C)Br
InChIInChI=1S/C21H42BrNO/c1-4-6-8-10-12-14-16-18-23(21(24)20(3)22)19-17-15-13-11-9-7-5-2/h20H,4-19H2,1-3H3
InChIKeyPHNYWZMKBRFRJU-UHFFFAOYSA-N
XLogP7.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.48
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Bromoacetamide, N,N-dioctyl-
CID 532882
Bromoacetamide, N,N-dihexyl-
CID 532878
Bromoacetamide, N,N-didecyl-
CID 532884
Pentanamide, N,N-dihexyl-5-bromo-
CID 532966
Pentanamide, N,N-dioctyl-5-bromo-
CID 532971
Pentanamide, N,N-didecyl-5-bromo-
CID 532973
Propanamide, N,N-bis(2-ethylhexyl)-2-bromo-
CID 533071
Propanamide, N,N-dioctyl-2-bromo-
CID 533074
Hexanamide, N,N-dioctyl-6-bromo-
CID 533338
Hexanamide, N,N-didecyl-6-bromo-
CID 533340
Bromoacetamide, N,N-diheptyl-
CID 532880
Bromoacetamide, N-heptyl-N-octyl-
CID 532881

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-di(nonyl)propanamide?
The IUPAC name of 2-bromo-N,N-di(nonyl)propanamide (CID 533075) is 2-bromo-N,N-di(nonyl)propanamide.
What is the SMILES notation for 2-bromo-N,N-di(nonyl)propanamide?
The canonical SMILES for 2-bromo-N,N-di(nonyl)propanamide is CCCCCCCCCN(CCCCCCCCC)C(=O)C(C)Br.
What is the InChIKey of 2-bromo-N,N-di(nonyl)propanamide?
The InChIKey is PHNYWZMKBRFRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42BrNO/c1-4-6-8-10-12-14-16-18-23(21(24)20(3)22)19-17-15-13-11-9-7-5-2/h20H,4-19H2,1-3H3.
What are the key properties of 2-bromo-N,N-di(nonyl)propanamide?
2-bromo-N,N-di(nonyl)propanamide has a molecular weight of 404.48 g/mol, XLogP of 7.10, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-di(nonyl)propanamide is sourced from PubChem (CID 533075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).