5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pentanamide

C12H24BrNO3 — CID 107909884

IUPAC5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pentanamide
SMILESCOCCN(C(=O)CCCCBr)C(C)COC
InChIInChI=1S/C12H24BrNO3/c1-11(10-17-3)14(8-9-16-2)12(15)6-4-5-7-13/h11H,4-10H2,1-3H3
InChIKeyCNTFNFFLPADIFS-UHFFFAOYSA-N
MW310.23 g/mol
LogP2.06
Rot. Bonds10

About 5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pentanamide

5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pentanamide (PubChem CID 107909884) has the molecular formula C12H24BrNO3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pentanamide
PubChem CID107909884
Molecular FormulaC12H24BrNO3
Molecular Weight310.23 g/mol
Exact Mass309.09
IUPAC Name5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pentanamide
SMILESCOCCN(C(=O)CCCCBr)C(C)COC
InChIInChI=1S/C12H24BrNO3/c1-11(10-17-3)14(8-9-16-2)12(15)6-4-5-7-13/h11H,4-10H2,1-3H3
InChIKeyCNTFNFFLPADIFS-UHFFFAOYSA-N
XLogP2.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

5-bromo-N-butan-2-yl-N-butylpentanamide
CID 107909392
3-(cyclopropylamino)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)propanamide
CID 55005245
5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-3-methyl-5-oxopentanoic acid
CID 62965265
5-bromo-N-(2-methoxyethyl)-N-prop-2-enylpentanamide
CID 107910751
2-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylpropanamide
CID 114328513
N-(2-methoxyethyl)-N-pentan-3-yl-4-(propan-2-ylamino)butanamide
CID 54871818
5-bromo-N,N-diethylpentanamide
CID 11459002
N-[2-(2-bromoethoxy)ethyl]-N-propan-2-yloctanamide
CID 114276370
N-(3-bromopropyl)-N-propan-2-ylbutanamide
CID 80662184
5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylpentanamide
CID 107910746
4-[ethyl(1-methoxypropan-2-yl)amino]-4-oxobutanoic acid
CID 60949028
tert-butyl 4-[butan-2-yl(2-methoxyethyl)amino]-4-oxobutanoate
CID 106707257

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pentanamide?
The IUPAC name of 5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pentanamide (CID 107909884) is 5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pentanamide.
What is the SMILES notation for 5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pentanamide?
The canonical SMILES for 5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pentanamide is COCCN(C(=O)CCCCBr)C(C)COC.
What is the InChIKey of 5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pentanamide?
The InChIKey is CNTFNFFLPADIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO3/c1-11(10-17-3)14(8-9-16-2)12(15)6-4-5-7-13/h11H,4-10H2,1-3H3.
What are the key properties of 5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pentanamide?
5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pentanamide has a molecular weight of 310.23 g/mol, XLogP of 2.06, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pentanamide is sourced from PubChem (CID 107909884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).