N-[3-[(dimethylamino)methyl]phenyl]-3-methyl-2-phenylpentanamide

C21H28N2O — CID 78862850

IUPACN-[3-[(dimethylamino)methyl]phenyl]-3-methyl-2-phenylpentanamide
SMILESCCC(C)C(C(=O)Nc1cccc(CN(C)C)c1)c1ccccc1
InChIInChI=1S/C21H28N2O/c1-5-16(2)20(18-11-7-6-8-12-18)21(24)22-19-13-9-10-17(14-19)15-23(3)4/h6-14,16,20H,5,15H2,1-4H3,(H,22,24)
InChIKeyMVGWGDZIQMTQLC-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.52
Rot. Bonds7

About N-[3-[(dimethylamino)methyl]phenyl]-3-methyl-2-phenylpentanamide

N-[3-[(dimethylamino)methyl]phenyl]-3-methyl-2-phenylpentanamide (PubChem CID 78862850) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]phenyl]-3-methyl-2-phenylpentanamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]phenyl]-3-methyl-2-phenylpentanamide
PubChem CID78862850
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-[3-[(dimethylamino)methyl]phenyl]-3-methyl-2-phenylpentanamide
SMILESCCC(C)C(C(=O)Nc1cccc(CN(C)C)c1)c1ccccc1
InChIInChI=1S/C21H28N2O/c1-5-16(2)20(18-11-7-6-8-12-18)21(24)22-19-13-9-10-17(14-19)15-23(3)4/h6-14,16,20H,5,15H2,1-4H3,(H,22,24)
InChIKeyMVGWGDZIQMTQLC-UHFFFAOYSA-N
XLogP4.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[3-[(dimethylamino)methyl]phenyl]-2-methylpropanamide
CID 62727196
(2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 61145682
(2R,3R)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-phenylpentanamide
CID 8700986
2-amino-N-[3-[(dimethylamino)methyl]phenyl]-3-methylbutanamide;dihydrochloride
CID 119853134
2-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide
CID 43704239
(2S,3S)-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-2-phenylpentanamide
CID 25484071
(2R,3S)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-methyl-2-phenylpentanamide
CID 95310454
3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpentanamide
CID 55765150
3-acetamido-N-[3-[(dimethylamino)methyl]phenyl]-3-phenylpropanamide
CID 86931913
3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-phenylpentanamide
CID 55812075
N-(3-ethylphenyl)-2-phenylbutanamide
CID 2931545
2-[3-[(dimethylamino)methyl]anilino]butanoic acid
CID 113292403

Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-3-methyl-2-phenylpentanamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-3-methyl-2-phenylpentanamide (CID 78862850) is N-[3-[(dimethylamino)methyl]phenyl]-3-methyl-2-phenylpentanamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]phenyl]-3-methyl-2-phenylpentanamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]phenyl]-3-methyl-2-phenylpentanamide is CCC(C)C(C(=O)Nc1cccc(CN(C)C)c1)c1ccccc1.
What is the InChIKey of N-[3-[(dimethylamino)methyl]phenyl]-3-methyl-2-phenylpentanamide?
The InChIKey is MVGWGDZIQMTQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-5-16(2)20(18-11-7-6-8-12-18)21(24)22-19-13-9-10-17(14-19)15-23(3)4/h6-14,16,20H,5,15H2,1-4H3,(H,22,24).
What are the key properties of N-[3-[(dimethylamino)methyl]phenyl]-3-methyl-2-phenylpentanamide?
N-[3-[(dimethylamino)methyl]phenyl]-3-methyl-2-phenylpentanamide has a molecular weight of 324.47 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]phenyl]-3-methyl-2-phenylpentanamide is sourced from PubChem (CID 78862850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).