4-amino-N-[2-(3-bromophenyl)ethyl]-N,4-dimethylpentanamide

C15H23BrN2O — CID 115157634

IUPAC4-amino-N-[2-(3-bromophenyl)ethyl]-N,4-dimethylpentanamide
SMILESCN(CCc1cccc(Br)c1)C(=O)CCC(C)(C)N
InChIInChI=1S/C15H23BrN2O/c1-15(2,17)9-7-14(19)18(3)10-8-12-5-4-6-13(16)11-12/h4-6,11H,7-10,17H2,1-3H3
InChIKeyVDZPAYVRJYMTCP-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.97
Rot. Bonds6

About 4-amino-N-[2-(3-bromophenyl)ethyl]-N,4-dimethylpentanamide

4-amino-N-[2-(3-bromophenyl)ethyl]-N,4-dimethylpentanamide (PubChem CID 115157634) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 4-amino-N-[2-(3-bromophenyl)ethyl]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name4-amino-N-[2-(3-bromophenyl)ethyl]-N,4-dimethylpentanamide
PubChem CID115157634
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name4-amino-N-[2-(3-bromophenyl)ethyl]-N,4-dimethylpentanamide
SMILESCN(CCc1cccc(Br)c1)C(=O)CCC(C)(C)N
InChIInChI=1S/C15H23BrN2O/c1-15(2,17)9-7-14(19)18(3)10-8-12-5-4-6-13(16)11-12/h4-6,11H,7-10,17H2,1-3H3
InChIKeyVDZPAYVRJYMTCP-UHFFFAOYSA-N
XLogP2.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-bromophenyl)ethyl]-N-methyl-3-sulfanylpropanamide
CID 115168103
5-[2-(3-bromophenyl)ethyl-methylamino]-5-oxopentanoic acid
CID 115163898
3-amino-N-[2-(3-bromophenyl)ethyl]-N-methylbutanamide
CID 115154426
N-[2-(3-bromophenyl)ethyl]-2-cyano-N-methylacetamide
CID 82134700
1-amino-N-[2-(3-bromophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115190038
3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115180860
3-amino-N-[2-(3-bromophenyl)ethyl]-N,2-dimethylpropanamide
CID 115153894
3-[2-(3-bromophenyl)ethyl-methylamino]-3-methylbutanoic acid
CID 117042488
3-amino-N-[2-(4-bromophenyl)ethyl]-N,3-dimethylbutanamide
CID 115155083
4-amino-N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide
CID 114285595
2-[3-(3-bromophenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 62817750
3-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 112792574

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3-bromophenyl)ethyl]-N,4-dimethylpentanamide?
The IUPAC name of 4-amino-N-[2-(3-bromophenyl)ethyl]-N,4-dimethylpentanamide (CID 115157634) is 4-amino-N-[2-(3-bromophenyl)ethyl]-N,4-dimethylpentanamide.
What is the SMILES notation for 4-amino-N-[2-(3-bromophenyl)ethyl]-N,4-dimethylpentanamide?
The canonical SMILES for 4-amino-N-[2-(3-bromophenyl)ethyl]-N,4-dimethylpentanamide is CN(CCc1cccc(Br)c1)C(=O)CCC(C)(C)N.
What is the InChIKey of 4-amino-N-[2-(3-bromophenyl)ethyl]-N,4-dimethylpentanamide?
The InChIKey is VDZPAYVRJYMTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-15(2,17)9-7-14(19)18(3)10-8-12-5-4-6-13(16)11-12/h4-6,11H,7-10,17H2,1-3H3.
What are the key properties of 4-amino-N-[2-(3-bromophenyl)ethyl]-N,4-dimethylpentanamide?
4-amino-N-[2-(3-bromophenyl)ethyl]-N,4-dimethylpentanamide has a molecular weight of 327.27 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3-bromophenyl)ethyl]-N,4-dimethylpentanamide is sourced from PubChem (CID 115157634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).