N-(3-bromopropyl)-N-ethyl-3-(2-methylphenyl)propanamide

C15H22BrNO — CID 113469201

IUPACN-(3-bromopropyl)-N-ethyl-3-(2-methylphenyl)propanamide
SMILESCCN(CCCBr)C(=O)CCc1ccccc1C
InChIInChI=1S/C15H22BrNO/c1-3-17(12-6-11-16)15(18)10-9-14-8-5-4-7-13(14)2/h4-5,7-8H,3,6,9-12H2,1-2H3
InChIKeyTVWUSUKUGMYQQS-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.56
Rot. Bonds7

About N-(3-bromopropyl)-N-ethyl-3-(2-methylphenyl)propanamide

N-(3-bromopropyl)-N-ethyl-3-(2-methylphenyl)propanamide (PubChem CID 113469201) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-ethyl-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-ethyl-3-(2-methylphenyl)propanamide
PubChem CID113469201
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-(3-bromopropyl)-N-ethyl-3-(2-methylphenyl)propanamide
SMILESCCN(CCCBr)C(=O)CCc1ccccc1C
InChIInChI=1S/C15H22BrNO/c1-3-17(12-6-11-16)15(18)10-9-14-8-5-4-7-13(14)2/h4-5,7-8H,3,6,9-12H2,1-2H3
InChIKeyTVWUSUKUGMYQQS-UHFFFAOYSA-N
XLogP3.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.56
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-bromoethyl)-N-butyl-3-(2-methylphenyl)propanamide
CID 80659752
N-(1-bromopropan-2-yl)-N-methyl-3-(2-methylphenyl)propanamide
CID 104555951
N-(3-aminopropyl)-3-(2-methylphenyl)-N-(2-methylpropyl)propanamide
CID 62365153
N-(2-chloroethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide
CID 113468244
N-(3-bromopropyl)-N-ethyl-3-(4-methoxyphenyl)propanamide
CID 113469211
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871
3-(2-ethoxyphenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771921
N-(2-hydroxyethyl)-N-methyl-3-(2-methylphenyl)propanamide
CID 62366240
3-(2-aminophenyl)-N-ethyl-N-propylpropanamide
CID 43309247
N-(3-bromopropyl)-3-(2-methylphenyl)propanamide
CID 62365536
3-(2,6-dimethylphenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115772075
4-[ethyl-[(2-methylphenyl)methyl]amino]-4-oxobutanoic acid
CID 39351791

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-ethyl-3-(2-methylphenyl)propanamide?
The IUPAC name of N-(3-bromopropyl)-N-ethyl-3-(2-methylphenyl)propanamide (CID 113469201) is N-(3-bromopropyl)-N-ethyl-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-(3-bromopropyl)-N-ethyl-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-(3-bromopropyl)-N-ethyl-3-(2-methylphenyl)propanamide is CCN(CCCBr)C(=O)CCc1ccccc1C.
What is the InChIKey of N-(3-bromopropyl)-N-ethyl-3-(2-methylphenyl)propanamide?
The InChIKey is TVWUSUKUGMYQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-3-17(12-6-11-16)15(18)10-9-14-8-5-4-7-13(14)2/h4-5,7-8H,3,6,9-12H2,1-2H3.
What are the key properties of N-(3-bromopropyl)-N-ethyl-3-(2-methylphenyl)propanamide?
N-(3-bromopropyl)-N-ethyl-3-(2-methylphenyl)propanamide has a molecular weight of 312.25 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-ethyl-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 113469201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).