4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-4-methylpentanamide

C15H23BrN2O — CID 115157613

IUPAC4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-4-methylpentanamide
SMILESCc1ccc(Br)cc1CCNC(=O)CCC(C)(C)N
InChIInChI=1S/C15H23BrN2O/c1-11-4-5-13(16)10-12(11)7-9-18-14(19)6-8-15(2,3)17/h4-5,10H,6-9,17H2,1-3H3,(H,18,19)
InChIKeySJRLMUQPWOYPNA-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.93
Rot. Bonds6

About 4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-4-methylpentanamide

4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-4-methylpentanamide (PubChem CID 115157613) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-4-methylpentanamide
PubChem CID115157613
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-4-methylpentanamide
SMILESCc1ccc(Br)cc1CCNC(=O)CCC(C)(C)N
InChIInChI=1S/C15H23BrN2O/c1-11-4-5-13(16)10-12(11)7-9-18-14(19)6-8-15(2,3)17/h4-5,10H,6-9,17H2,1-3H3,(H,18,19)
InChIKeySJRLMUQPWOYPNA-UHFFFAOYSA-N
XLogP2.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-bromo-2-methylphenyl)ethyl]-4-oxopentanamide
CID 115176955
5-[2-(5-bromo-2-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 115163884
1-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189978
4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-3-methylbutanamide
CID 115156460
4-amino-N-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpentanamide
CID 115157607
ethyl 2-[2-(5-bromo-2-methylphenyl)ethylamino]-2-oxoacetate
CID 115142069
2-amino-3-[2-(5-bromo-2-methylphenyl)ethylamino]-3-oxopropanoic acid
CID 115179465
3-(5-bromo-2-methylphenyl)-N-methylpropanamide
CID 175640047
2-[2-(5-bromo-2-methylphenyl)ethylamino]-2-methylpropanoic acid
CID 115128110
3-(5-bromo-2-methylphenyl)propanamide
CID 175640046
2-[2-(5-bromo-2-methylphenyl)ethylcarbamoyl]butanoic acid
CID 115186061
4-amino-N-[(5-bromo-2-methylphenyl)methyl]butanamide
CID 115155319

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-4-methylpentanamide?
The IUPAC name of 4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-4-methylpentanamide (CID 115157613) is 4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-4-methylpentanamide.
What is the SMILES notation for 4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-4-methylpentanamide?
The canonical SMILES for 4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-4-methylpentanamide is Cc1ccc(Br)cc1CCNC(=O)CCC(C)(C)N.
What is the InChIKey of 4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-4-methylpentanamide?
The InChIKey is SJRLMUQPWOYPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-11-4-5-13(16)10-12(11)7-9-18-14(19)6-8-15(2,3)17/h4-5,10H,6-9,17H2,1-3H3,(H,18,19).
What are the key properties of 4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-4-methylpentanamide?
4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-4-methylpentanamide has a molecular weight of 327.27 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 115157613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).