5-amino-N-[(4-bromophenyl)methyl]-N-methylhexanamide

C14H21BrN2O — CID 82851243

IUPAC5-amino-N-[(4-bromophenyl)methyl]-N-methylhexanamide
SMILESCC(N)CCCC(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-11(16)4-3-5-14(18)17(2)10-12-6-8-13(15)9-7-12/h6-9,11H,3-5,10,16H2,1-2H3
InChIKeyOWPCNTUVOISEIP-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.92
Rot. Bonds6

About 5-amino-N-[(4-bromophenyl)methyl]-N-methylhexanamide

5-amino-N-[(4-bromophenyl)methyl]-N-methylhexanamide (PubChem CID 82851243) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 5-amino-N-[(4-bromophenyl)methyl]-N-methylhexanamide.

Molecular Properties

Compound Name5-amino-N-[(4-bromophenyl)methyl]-N-methylhexanamide
PubChem CID82851243
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name5-amino-N-[(4-bromophenyl)methyl]-N-methylhexanamide
SMILESCC(N)CCCC(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-11(16)4-3-5-14(18)17(2)10-12-6-8-13(15)9-7-12/h6-9,11H,3-5,10,16H2,1-2H3
InChIKeyOWPCNTUVOISEIP-UHFFFAOYSA-N
XLogP2.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methyldecanamide
CID 65428442
N-[(4-bromophenyl)methyl]-N-methyloctanamide
CID 63531159
N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82132454
6-amino-1-(4-bromophenyl)heptan-2-one
CID 116610163
N-[(4-bromophenyl)methyl]-N-methyl-N',N'-dipropylpentanediamide
CID 56538297
5-amino-N-[(3-chlorophenyl)methyl]-N-methylhexanamide
CID 82851613
N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide
CID 103601047
N-[(4-bromophenyl)methyl]-3-(2,2-difluoroethoxy)-N-methylpropanamide
CID 103208559
5-amino-N-ethyl-N-methylhexanamide
CID 82848384
5-amino-N-(4-bromophenyl)hexanamide
CID 82848125
tert-butyl 4-[(4-bromophenyl)methyl-methylamino]-4-oxobutanoate
CID 106707116
N-[(4-bromophenyl)methyl]-2-(butan-2-ylamino)-N-methylacetamide
CID 60646795

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-bromophenyl)methyl]-N-methylhexanamide?
The IUPAC name of 5-amino-N-[(4-bromophenyl)methyl]-N-methylhexanamide (CID 82851243) is 5-amino-N-[(4-bromophenyl)methyl]-N-methylhexanamide.
What is the SMILES notation for 5-amino-N-[(4-bromophenyl)methyl]-N-methylhexanamide?
The canonical SMILES for 5-amino-N-[(4-bromophenyl)methyl]-N-methylhexanamide is CC(N)CCCC(=O)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of 5-amino-N-[(4-bromophenyl)methyl]-N-methylhexanamide?
The InChIKey is OWPCNTUVOISEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-11(16)4-3-5-14(18)17(2)10-12-6-8-13(15)9-7-12/h6-9,11H,3-5,10,16H2,1-2H3.
What are the key properties of 5-amino-N-[(4-bromophenyl)methyl]-N-methylhexanamide?
5-amino-N-[(4-bromophenyl)methyl]-N-methylhexanamide has a molecular weight of 313.24 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-bromophenyl)methyl]-N-methylhexanamide is sourced from PubChem (CID 82851243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).