N-[(4-bromophenyl)methyl]-2-(ethylamino)-N,2-dimethylpropanamide

C14H21BrN2O — CID 62835487

IUPACN-[(4-bromophenyl)methyl]-2-(ethylamino)-N,2-dimethylpropanamide
SMILESCCNC(C)(C)C(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-5-16-14(2,3)13(18)17(4)10-11-6-8-12(15)9-7-11/h6-9,16H,5,10H2,1-4H3
InChIKeyKDFILXRTWKUMQM-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.80
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-2-(ethylamino)-N,2-dimethylpropanamide

N-[(4-bromophenyl)methyl]-2-(ethylamino)-N,2-dimethylpropanamide (PubChem CID 62835487) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-(ethylamino)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-(ethylamino)-N,2-dimethylpropanamide
PubChem CID62835487
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-[(4-bromophenyl)methyl]-2-(ethylamino)-N,2-dimethylpropanamide
SMILESCCNC(C)(C)C(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-5-16-14(2,3)13(18)17(4)10-11-6-8-12(15)9-7-11/h6-9,16H,5,10H2,1-4H3
InChIKeyKDFILXRTWKUMQM-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-N,2-dimethyl-N-(thiophen-3-ylmethyl)propanamide
CID 62831220
4-[(4-bromophenyl)methyl-methylamino]-3,3-dimethyl-4-oxobutanoic acid
CID 115164853
N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82132454
N-[(4-bromophenyl)methyl]-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80616317
N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide
CID 103601047
2-amino-N,2-dimethyl-N-[(4-propylphenyl)methyl]propanamide
CID 115152710
N-[(4-bromophenyl)methyl]-3,3,3-trifluoro-N-methylpropanamide
CID 60731305
4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630849
N-cyclopropyl-2-(ethylamino)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 62836250
2-[[[(4-bromophenyl)methyl-methylamino]-(ethylamino)methylidene]amino]-N-tert-butylacetamide;hydroiodide
CID 111292940
N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methylpyridine-3-carboxamide
CID 81238819
N-benzyl-N,2-dimethyl-2-(methylamino)propanamide
CID 62834859

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-(ethylamino)-N,2-dimethylpropanamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-(ethylamino)-N,2-dimethylpropanamide (CID 62835487) is N-[(4-bromophenyl)methyl]-2-(ethylamino)-N,2-dimethylpropanamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-(ethylamino)-N,2-dimethylpropanamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-(ethylamino)-N,2-dimethylpropanamide is CCNC(C)(C)C(=O)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-(ethylamino)-N,2-dimethylpropanamide?
The InChIKey is KDFILXRTWKUMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-5-16-14(2,3)13(18)17(4)10-11-6-8-12(15)9-7-11/h6-9,16H,5,10H2,1-4H3.
What are the key properties of N-[(4-bromophenyl)methyl]-2-(ethylamino)-N,2-dimethylpropanamide?
N-[(4-bromophenyl)methyl]-2-(ethylamino)-N,2-dimethylpropanamide has a molecular weight of 313.24 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-(ethylamino)-N,2-dimethylpropanamide is sourced from PubChem (CID 62835487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).