N-[2-(2-bromoethoxy)ethyl]-N-propan-2-yloctanamide

C15H30BrNO2 — CID 114276370

IUPACN-[2-(2-bromoethoxy)ethyl]-N-propan-2-yloctanamide
SMILESCCCCCCCC(=O)N(CCOCCBr)C(C)C
InChIInChI=1S/C15H30BrNO2/c1-4-5-6-7-8-9-15(18)17(14(2)3)11-13-19-12-10-16/h14H,4-13H2,1-3H3
InChIKeyRMWXRUBMAVSYBI-UHFFFAOYSA-N
MW336.31 g/mol
LogP4.00
Rot. Bonds12

About N-[2-(2-bromoethoxy)ethyl]-N-propan-2-yloctanamide

N-[2-(2-bromoethoxy)ethyl]-N-propan-2-yloctanamide (PubChem CID 114276370) has the molecular formula C15H30BrNO2 and a molecular weight of 336.31 g/mol. Its IUPAC name is N-[2-(2-bromoethoxy)ethyl]-N-propan-2-yloctanamide.

Molecular Properties

Compound NameN-[2-(2-bromoethoxy)ethyl]-N-propan-2-yloctanamide
PubChem CID114276370
Molecular FormulaC15H30BrNO2
Molecular Weight336.31 g/mol
Exact Mass335.15
IUPAC NameN-[2-(2-bromoethoxy)ethyl]-N-propan-2-yloctanamide
SMILESCCCCCCCC(=O)N(CCOCCBr)C(C)C
InChIInChI=1S/C15H30BrNO2/c1-4-5-6-7-8-9-15(18)17(14(2)3)11-13-19-12-10-16/h14H,4-13H2,1-3H3
InChIKeyRMWXRUBMAVSYBI-UHFFFAOYSA-N
XLogP4.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
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-(2-bromoethyl)-N-propan-2-ylnonanamide
CID 80665371
N-(3-bromopropyl)-N-propan-2-ylbutanamide
CID 80662184
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yldecanamide
CID 77069041
5-bromo-N-butan-2-yl-N-butylpentanamide
CID 107909392
6-amino-N-propan-2-yl-N-propylhexanamide
CID 43269620
N,N-bis(2-ethoxyethyl)dodecanamide
CID 87526086
N-(3-hydroxypropyl)-N-propan-2-ylpentanamide
CID 61039653
N-(cyanomethyl)-N-propan-2-yldecanamide
CID 65449531
5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pentanamide
CID 107909884
ethane;N-methyl-N-propan-2-ylnonanamide
CID 142045586
N-(5-bromopentyl)-N-propan-2-ylheptanamide;N-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-N-propan-2-ylheptanamide
CID 158723430
1-(2-bromoethoxy)nonane
CID 59341239

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethoxy)ethyl]-N-propan-2-yloctanamide?
The IUPAC name of N-[2-(2-bromoethoxy)ethyl]-N-propan-2-yloctanamide (CID 114276370) is N-[2-(2-bromoethoxy)ethyl]-N-propan-2-yloctanamide.
What is the SMILES notation for N-[2-(2-bromoethoxy)ethyl]-N-propan-2-yloctanamide?
The canonical SMILES for N-[2-(2-bromoethoxy)ethyl]-N-propan-2-yloctanamide is CCCCCCCC(=O)N(CCOCCBr)C(C)C.
What is the InChIKey of N-[2-(2-bromoethoxy)ethyl]-N-propan-2-yloctanamide?
The InChIKey is RMWXRUBMAVSYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30BrNO2/c1-4-5-6-7-8-9-15(18)17(14(2)3)11-13-19-12-10-16/h14H,4-13H2,1-3H3.
What are the key properties of N-[2-(2-bromoethoxy)ethyl]-N-propan-2-yloctanamide?
N-[2-(2-bromoethoxy)ethyl]-N-propan-2-yloctanamide has a molecular weight of 336.31 g/mol, XLogP of 4.00, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethoxy)ethyl]-N-propan-2-yloctanamide is sourced from PubChem (CID 114276370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).