N-[7-(dimethylamino)-1-phenylheptyl]benzamide

C22H30N2O — CID 3027100

IUPACN-[7-(dimethylamino)-1-phenylheptyl]benzamide
SMILESCN(C)CCCCCCC(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30N2O/c1-24(2)18-12-4-3-11-17-21(19-13-7-5-8-14-19)23-22(25)20-15-9-6-10-16-20/h5-10,13-16,21H,3-4,11-12,17-18H2,1-2H3,(H,23,25)
InChIKeyXBZISUNJPAPMGJ-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.67
Rot. Bonds10

About N-[7-(dimethylamino)-1-phenylheptyl]benzamide

N-[7-(dimethylamino)-1-phenylheptyl]benzamide (PubChem CID 3027100) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is N-[7-(dimethylamino)-1-phenylheptyl]benzamide.

Molecular Properties

Compound NameN-[7-(dimethylamino)-1-phenylheptyl]benzamide
PubChem CID3027100
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC NameN-[7-(dimethylamino)-1-phenylheptyl]benzamide
SMILESCN(C)CCCCCCC(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30N2O/c1-24(2)18-12-4-3-11-17-21(19-13-7-5-8-14-19)23-22(25)20-15-9-6-10-16-20/h5-10,13-16,21H,3-4,11-12,17-18H2,1-2H3,(H,23,25)
InChIKeyXBZISUNJPAPMGJ-UHFFFAOYSA-N
XLogP4.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 24954832
N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 40591318
N-[4-(diethylamino)-4-oxo-1-phenylbutyl]benzamide
CID 101474890
N-(1-phenylheptyl)pyridine-3-carboxamide
CID 54544628
4-fluoro-N-[(1R)-1-phenylpentyl]benzamide
CID 2201408
N-[2-(dibutylamino)-1-phenylethyl]benzamide;hydrochloride
CID 3027044
N-[3-[butyl(methyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 78796197
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
4-[(3-benzamido-3-phenylpropanoyl)-methylamino]butanoic acid
CID 119173149

Frequently Asked Questions

What is the IUPAC name of N-[7-(dimethylamino)-1-phenylheptyl]benzamide?
The IUPAC name of N-[7-(dimethylamino)-1-phenylheptyl]benzamide (CID 3027100) is N-[7-(dimethylamino)-1-phenylheptyl]benzamide.
What is the SMILES notation for N-[7-(dimethylamino)-1-phenylheptyl]benzamide?
The canonical SMILES for N-[7-(dimethylamino)-1-phenylheptyl]benzamide is CN(C)CCCCCCC(NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[7-(dimethylamino)-1-phenylheptyl]benzamide?
The InChIKey is XBZISUNJPAPMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-24(2)18-12-4-3-11-17-21(19-13-7-5-8-14-19)23-22(25)20-15-9-6-10-16-20/h5-10,13-16,21H,3-4,11-12,17-18H2,1-2H3,(H,23,25).
What are the key properties of N-[7-(dimethylamino)-1-phenylheptyl]benzamide?
N-[7-(dimethylamino)-1-phenylheptyl]benzamide has a molecular weight of 338.50 g/mol, XLogP of 4.67, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(dimethylamino)-1-phenylheptyl]benzamide is sourced from PubChem (CID 3027100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).