2-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbutanamide

C12H24BrNO2 — CID 62855963

IUPAC2-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbutanamide
SMILESCCC(Br)C(=O)N(CCOC)C(CC)CC
InChIInChI=1S/C12H24BrNO2/c1-5-10(6-2)14(8-9-16-4)12(15)11(13)7-3/h10-11H,5-9H2,1-4H3
InChIKeyDIJBDAILJBNYLR-UHFFFAOYSA-N
MW294.23 g/mol
LogP2.82
Rot. Bonds8

About 2-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbutanamide

2-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbutanamide (PubChem CID 62855963) has the molecular formula C12H24BrNO2 and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbutanamide.

Molecular Properties

Compound Name2-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbutanamide
PubChem CID62855963
Molecular FormulaC12H24BrNO2
Molecular Weight294.23 g/mol
Exact Mass293.10
IUPAC Name2-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbutanamide
SMILESCCC(Br)C(=O)N(CCOC)C(CC)CC
InChIInChI=1S/C12H24BrNO2/c1-5-10(6-2)14(8-9-16-4)12(15)11(13)7-3/h10-11H,5-9H2,1-4H3
InChIKeyDIJBDAILJBNYLR-UHFFFAOYSA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylpropanamide
CID 106112070
2-bromo-N-(2-methoxyethyl)-N-methylbutanamide
CID 62854357
4-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbutanamide
CID 80542973
N-(2-methoxyethyl)-2-methyl-3-(methylamino)-N-pentan-3-ylpropanamide;hydrochloride
CID 119729632
(2S)-2-amino-N-(2-methoxyethyl)-N-pentan-3-yl-3-phenylpropanamide
CID 61163372
(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-pentan-3-ylbutanamide
CID 104907756
2-(2-aminoethoxy)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide
CID 79474034
3-bromo-N-(2-methoxyethyl)-5-methyl-N-pentan-3-ylbenzamide
CID 104852335
2-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801985
4-amino-5-ethyl-N-(2-methoxyethyl)-N-pentan-3-yl-1H-pyrazole-3-carboxamide
CID 62081656
N-(1-methoxybutan-2-yl)-2-methyl-N-propylpropanamide
CID 145027316
(2R)-2-amino-N-(2-methoxyethyl)-N-propan-2-ylbutanamide
CID 82949069

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbutanamide?
The IUPAC name of 2-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbutanamide (CID 62855963) is 2-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbutanamide.
What is the SMILES notation for 2-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbutanamide?
The canonical SMILES for 2-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbutanamide is CCC(Br)C(=O)N(CCOC)C(CC)CC.
What is the InChIKey of 2-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbutanamide?
The InChIKey is DIJBDAILJBNYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO2/c1-5-10(6-2)14(8-9-16-4)12(15)11(13)7-3/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbutanamide?
2-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbutanamide has a molecular weight of 294.23 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbutanamide is sourced from PubChem (CID 62855963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).