2-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylpropanamide

C11H22BrNO3 — CID 114328513

IUPAC2-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylpropanamide
SMILESCOCCN(C(=O)C(C)(C)Br)C(C)COC
InChIInChI=1S/C11H22BrNO3/c1-9(8-16-5)13(6-7-15-4)10(14)11(2,3)12/h9H,6-8H2,1-5H3
InChIKeyRWQRSCRVBCPHGP-UHFFFAOYSA-N
MW296.20 g/mol
LogP1.67
Rot. Bonds7

About 2-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylpropanamide

2-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylpropanamide (PubChem CID 114328513) has the molecular formula C11H22BrNO3 and a molecular weight of 296.20 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylpropanamide
PubChem CID114328513
Molecular FormulaC11H22BrNO3
Molecular Weight296.20 g/mol
Exact Mass295.08
IUPAC Name2-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylpropanamide
SMILESCOCCN(C(=O)C(C)(C)Br)C(C)COC
InChIInChI=1S/C11H22BrNO3/c1-9(8-16-5)13(6-7-15-4)10(14)11(2,3)12/h9H,6-8H2,1-5H3
InChIKeyRWQRSCRVBCPHGP-UHFFFAOYSA-N
XLogP1.67
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)propanamide
CID 114328153
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanimidamide
CID 63177457
N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-2-(methylamino)propanamide
CID 62845655
4-fluoro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 54978956
5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pentanamide
CID 107909884
2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylpropanamide
CID 114329141
2-(ethylamino)-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylpropanamide
CID 82948013
5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-3-methyl-5-oxopentanoic acid
CID 62965265
2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]propanoic acid
CID 55004090
3-amino-N-butan-2-yl-3-hydroxyimino-N-(2-methoxyethyl)-2,2-dimethylpropanamide
CID 76921320
ethyl 2-[(2-bromo-2-methylpropanoyl)-(2-methoxyethyl)amino]acetate
CID 114328195
N-ethyl-N-(1-methoxypropan-2-yl)-2-methyl-2-(methylamino)propanamide
CID 62846708

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylpropanamide?
The IUPAC name of 2-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylpropanamide (CID 114328513) is 2-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylpropanamide is COCCN(C(=O)C(C)(C)Br)C(C)COC.
What is the InChIKey of 2-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylpropanamide?
The InChIKey is RWQRSCRVBCPHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO3/c1-9(8-16-5)13(6-7-15-4)10(14)11(2,3)12/h9H,6-8H2,1-5H3.
What are the key properties of 2-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylpropanamide?
2-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylpropanamide has a molecular weight of 296.20 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylpropanamide is sourced from PubChem (CID 114328513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).