3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-2-methylbenzamide

C15H22BrNO2 — CID 103274844

IUPAC3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-2-methylbenzamide
SMILESCCOCC(NC(=O)c1cccc(Br)c1C)C(C)C
InChIInChI=1S/C15H22BrNO2/c1-5-19-9-14(10(2)3)17-15(18)12-7-6-8-13(16)11(12)4/h6-8,10,14H,5,9H2,1-4H3,(H,17,18)
InChIKeyHEVDVPXGZFVFNK-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.55
Rot. Bonds6

About 3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-2-methylbenzamide

3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-2-methylbenzamide (PubChem CID 103274844) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-2-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-2-methylbenzamide
PubChem CID103274844
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-2-methylbenzamide
SMILESCCOCC(NC(=O)c1cccc(Br)c1C)C(C)C
InChIInChI=1S/C15H22BrNO2/c1-5-19-9-14(10(2)3)17-15(18)12-7-6-8-13(16)11(12)4/h6-8,10,14H,5,9H2,1-4H3,(H,17,18)
InChIKeyHEVDVPXGZFVFNK-UHFFFAOYSA-N
XLogP3.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-3-fluorobenzamide
CID 114113916
2-bromo-5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)benzamide
CID 103278099
2-[(3-bromo-2-methylbenzoyl)amino]-3-methoxypropanoic acid
CID 81077282
N-(1-ethoxypropan-2-yl)-3-hydroxy-2-methylbenzamide
CID 82828956
3-bromo-N-(1-chloro-3-methoxypropan-2-yl)-2-methylbenzamide
CID 106182197
(2S)-2-[(3-bromo-2-methylbenzoyl)amino]propanoic acid
CID 79010315
3-bromo-2-methyl-N-(2-methylpropoxy)benzamide
CID 115409669
3-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-methylbenzamide
CID 103110545
3-bromo-2-methyl-N-propan-2-yloxybenzamide
CID 131020955
2-bromo-N-(1-bromo-3-methylbutan-2-yl)benzamide
CID 114315987
2-bromo-N-(1-methoxy-3-methylbutan-2-yl)-5-methylbenzamide
CID 81002971
N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridine-4-carboxamide
CID 103274823

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-2-methylbenzamide?
The IUPAC name of 3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-2-methylbenzamide (CID 103274844) is 3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-2-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-2-methylbenzamide?
The canonical SMILES for 3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-2-methylbenzamide is CCOCC(NC(=O)c1cccc(Br)c1C)C(C)C.
What is the InChIKey of 3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-2-methylbenzamide?
The InChIKey is HEVDVPXGZFVFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-5-19-9-14(10(2)3)17-15(18)12-7-6-8-13(16)11(12)4/h6-8,10,14H,5,9H2,1-4H3,(H,17,18).
What are the key properties of 3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-2-methylbenzamide?
3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-2-methylbenzamide has a molecular weight of 328.25 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-2-methylbenzamide is sourced from PubChem (CID 103274844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).