N-(2-bromopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide

C14H20BrNO — CID 80666132

IUPACN-(2-bromopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(C)c(CC(=O)N(C)CC(C)Br)c1
InChIInChI=1S/C14H20BrNO/c1-10-5-6-11(2)13(7-10)8-14(17)16(4)9-12(3)15/h5-7,12H,8-9H2,1-4H3
InChIKeyMOQUXCFUHDYPQO-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.09
Rot. Bonds4

About N-(2-bromopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide

N-(2-bromopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide (PubChem CID 80666132) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-(2-bromopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
PubChem CID80666132
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-(2-bromopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(C)c(CC(=O)N(C)CC(C)Br)c1
InChIInChI=1S/C14H20BrNO/c1-10-5-6-11(2)13(7-10)8-14(17)16(4)9-12(3)15/h5-7,12H,8-9H2,1-4H3
InChIKeyMOQUXCFUHDYPQO-UHFFFAOYSA-N
XLogP3.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 62539504
2-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
CID 62539688
2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]acetic acid
CID 62538496
2-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112704730
2-(2,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844756
N-(1-aminopropan-2-yl)-2-(2,5-dimethylphenyl)-N-methylacetamide;hydrochloride
CID 119584413
N-(5-aminopentyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 107206649
2-(2,5-dimethylphenyl)-N-[1-(3-hydroxyphenyl)ethyl]-N-methylacetamide
CID 71859784
N-(3-bromopropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide
CID 80662195
2-bromo-1-(2,5-dimethylphenyl)-4-methylpentan-3-one
CID 62394273
N-(2-bromopropyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 80665709
N-(2-bromopropyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 80666327

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide?
The IUPAC name of N-(2-bromopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide (CID 80666132) is N-(2-bromopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide.
What is the SMILES notation for N-(2-bromopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide?
The canonical SMILES for N-(2-bromopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide is Cc1ccc(C)c(CC(=O)N(C)CC(C)Br)c1.
What is the InChIKey of N-(2-bromopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide?
The InChIKey is MOQUXCFUHDYPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-10-5-6-11(2)13(7-10)8-14(17)16(4)9-12(3)15/h5-7,12H,8-9H2,1-4H3.
What are the key properties of N-(2-bromopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide?
N-(2-bromopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide has a molecular weight of 298.22 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide is sourced from PubChem (CID 80666132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).