N-[[4-[(dimethylamino)methyl]phenyl]methyl]pentanamide

C15H24N2O — CID 78810655

IUPACN-[[4-[(dimethylamino)methyl]phenyl]methyl]pentanamide
SMILESCCCCC(=O)NCc1ccc(CN(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-4-5-6-15(18)16-11-13-7-9-14(10-8-13)12-17(2)3/h7-10H,4-6,11-12H2,1-3H3,(H,16,18)
InChIKeyJEGWRZBIQQXTHW-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.55
Rot. Bonds7

About N-[[4-[(dimethylamino)methyl]phenyl]methyl]pentanamide

N-[[4-[(dimethylamino)methyl]phenyl]methyl]pentanamide (PubChem CID 78810655) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]phenyl]methyl]pentanamide.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]pentanamide
PubChem CID78810655
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]pentanamide
SMILESCCCCC(=O)NCc1ccc(CN(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-4-5-6-15(18)16-11-13-7-9-14(10-8-13)12-17(2)3/h7-10H,4-6,11-12H2,1-3H3,(H,16,18)
InChIKeyJEGWRZBIQQXTHW-UHFFFAOYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
N-[[4-(dimethylamino)phenyl]methyl]octadecanamide
CID 154276818
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(4-fluorophenoxy)butanamide
CID 46536237
N-[(4-aminooxyphenyl)methyl]pentanamide
CID 23579213
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703369
N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4162938
N-[[4-(aminomethyl)phenyl]methyl]heptanamide
CID 114751908
N-[(4-bromophenyl)methyl]octanamide
CID 60582799
N-[[4-(chloromethyl)phenyl]methyl]heptanamide
CID 107233492

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]pentanamide?
The IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]pentanamide (CID 78810655) is N-[[4-[(dimethylamino)methyl]phenyl]methyl]pentanamide.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]phenyl]methyl]pentanamide?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]phenyl]methyl]pentanamide is CCCCC(=O)NCc1ccc(CN(C)C)cc1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]phenyl]methyl]pentanamide?
The InChIKey is JEGWRZBIQQXTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-5-6-15(18)16-11-13-7-9-14(10-8-13)12-17(2)3/h7-10H,4-6,11-12H2,1-3H3,(H,16,18).
What are the key properties of N-[[4-[(dimethylamino)methyl]phenyl]methyl]pentanamide?
N-[[4-[(dimethylamino)methyl]phenyl]methyl]pentanamide has a molecular weight of 248.37 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]phenyl]methyl]pentanamide is sourced from PubChem (CID 78810655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).