2-(4-bromophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide

C14H21BrN2O — CID 119509414

IUPAC2-(4-bromophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide
SMILESCCNCCNC(=O)C(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-4-16-9-10-17-13(18)14(2,3)11-5-7-12(15)8-6-11/h5-8,16H,4,9-10H2,1-3H3,(H,17,18)
InChIKeySUSPGQOSQUDVPI-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.45
Rot. Bonds6

About 2-(4-bromophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide

2-(4-bromophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide (PubChem CID 119509414) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide
PubChem CID119509414
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-(4-bromophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide
SMILESCCNCCNC(=O)C(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-4-16-9-10-17-13(18)14(2,3)11-5-7-12(15)8-6-11/h5-8,16H,4,9-10H2,1-3H3,(H,17,18)
InChIKeySUSPGQOSQUDVPI-UHFFFAOYSA-N
XLogP2.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride
CID 119504580
2-(4-bromophenyl)sulfonyl-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride
CID 119508899
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide
CID 119504951
N-[2-(4-aminophenyl)ethyl]-2-(4-bromophenyl)-2-methylpropanamide;hydrochloride
CID 119549666
N-benzyl-2-(4-bromophenyl)-2-methylpropanamide
CID 134025593
3-(4-bromophenyl)-N-ethyl-3-methylbutan-1-amine
CID 79829851
N-(2-acetamidoethyl)-2-methyl-2-phenylpropanamide
CID 110678562
2-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-methylpropanamide
CID 86950563
N-(2-hydroxyethyl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide
CID 110487743
4-bromo-N-[2-(propylamino)ethyl]benzamide
CID 62658628
3-[(4-bromophenyl)carbamoylamino]-N-[2-(ethylamino)ethyl]propanamide
CID 119508627
N-(2-acetamidoethyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110437825

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide?
The IUPAC name of 2-(4-bromophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide (CID 119509414) is 2-(4-bromophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide is CCNCCNC(=O)C(C)(C)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide?
The InChIKey is SUSPGQOSQUDVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-4-16-9-10-17-13(18)14(2,3)11-5-7-12(15)8-6-11/h5-8,16H,4,9-10H2,1-3H3,(H,17,18).
What are the key properties of 2-(4-bromophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide?
2-(4-bromophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide has a molecular weight of 313.24 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide is sourced from PubChem (CID 119509414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).