N-(3-bromopropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide

C16H24BrNO — CID 80662195

IUPACN-(3-bromopropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide
SMILESCc1ccc(C)c(CC(=O)N(CCCBr)C(C)C)c1
InChIInChI=1S/C16H24BrNO/c1-12(2)18(9-5-8-17)16(19)11-15-10-13(3)6-7-14(15)4/h6-7,10,12H,5,8-9,11H2,1-4H3
InChIKeyMOEDDFMFKHBCLH-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.87
Rot. Bonds6

About N-(3-bromopropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide

N-(3-bromopropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide (PubChem CID 80662195) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-(3-bromopropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide
PubChem CID80662195
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-(3-bromopropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide
SMILESCc1ccc(C)c(CC(=O)N(CCCBr)C(C)C)c1
InChIInChI=1S/C16H24BrNO/c1-12(2)18(9-5-8-17)16(19)11-15-10-13(3)6-7-14(15)4/h6-7,10,12H,5,8-9,11H2,1-4H3
InChIKeyMOEDDFMFKHBCLH-UHFFFAOYSA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.87
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-chloroethyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide
CID 63393742
N-(3-amino-3-sulfanylidenepropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide
CID 62538513
5-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 80661582
N-(2-bromopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 80666132
2-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112704730
3-(2,5-dimethylphenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
CID 61039897
2-(2,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844756
N-(3-chloropropyl)-2-(4-methylphenyl)-N-propan-2-ylacetamide
CID 55183334
3-[[2-(2-methoxy-5-methylphenyl)acetyl]-propan-2-ylamino]propanoic acid
CID 60830398
N-(3-chloropropyl)-2-(3,4-dimethylphenyl)-N-propan-2-ylacetamide
CID 63390601
4-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 80661501
2-[(4-bromophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 133195052

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide?
The IUPAC name of N-(3-bromopropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide (CID 80662195) is N-(3-bromopropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(3-bromopropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(3-bromopropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide is Cc1ccc(C)c(CC(=O)N(CCCBr)C(C)C)c1.
What is the InChIKey of N-(3-bromopropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide?
The InChIKey is MOEDDFMFKHBCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-12(2)18(9-5-8-17)16(19)11-15-10-13(3)6-7-14(15)4/h6-7,10,12H,5,8-9,11H2,1-4H3.
What are the key properties of N-(3-bromopropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide?
N-(3-bromopropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide has a molecular weight of 326.28 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 80662195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).