3-methoxy-N-[4-(3-phenylpropylamino)phenyl]benzamide

C23H24N2O2 — CID 112984743

IUPAC3-methoxy-N-[4-(3-phenylpropylamino)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(NCCCc3ccccc3)cc2)c1
InChIInChI=1S/C23H24N2O2/c1-27-22-11-5-10-19(17-22)23(26)25-21-14-12-20(13-15-21)24-16-6-9-18-7-3-2-4-8-18/h2-5,7-8,10-15,17,24H,6,9,16H2,1H3,(H,25,26)
InChIKeyVOWRXCFYOXYFBP-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.99
Rot. Bonds8

About 3-methoxy-N-[4-(3-phenylpropylamino)phenyl]benzamide

3-methoxy-N-[4-(3-phenylpropylamino)phenyl]benzamide (PubChem CID 112984743) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-methoxy-N-[4-(3-phenylpropylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(3-phenylpropylamino)phenyl]benzamide
PubChem CID112984743
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name3-methoxy-N-[4-(3-phenylpropylamino)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(NCCCc3ccccc3)cc2)c1
InChIInChI=1S/C23H24N2O2/c1-27-22-11-5-10-19(17-22)23(26)25-21-14-12-20(13-15-21)24-16-6-9-18-7-3-2-4-8-18/h2-5,7-8,10-15,17,24H,6,9,16H2,1H3,(H,25,26)
InChIKeyVOWRXCFYOXYFBP-UHFFFAOYSA-N
XLogP4.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983238
N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-3-methoxybenzamide
CID 112984117
3-methoxy-N-[4-(propylamino)phenyl]benzamide
CID 112979702
3-methoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044097
4-methoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983237
3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980344
N-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160801
3-methoxy-N-[4-(N-methylanilino)phenyl]benzamide
CID 112986095
3-methoxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 18153307
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
N-[4-(3-methoxypropylamino)phenyl]benzamide
CID 112981031
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(3-phenylpropylamino)phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[4-(3-phenylpropylamino)phenyl]benzamide (CID 112984743) is 3-methoxy-N-[4-(3-phenylpropylamino)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-(3-phenylpropylamino)phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-(3-phenylpropylamino)phenyl]benzamide is COc1cccc(C(=O)Nc2ccc(NCCCc3ccccc3)cc2)c1.
What is the InChIKey of 3-methoxy-N-[4-(3-phenylpropylamino)phenyl]benzamide?
The InChIKey is VOWRXCFYOXYFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-27-22-11-5-10-19(17-22)23(26)25-21-14-12-20(13-15-21)24-16-6-9-18-7-3-2-4-8-18/h2-5,7-8,10-15,17,24H,6,9,16H2,1H3,(H,25,26).
What are the key properties of 3-methoxy-N-[4-(3-phenylpropylamino)phenyl]benzamide?
3-methoxy-N-[4-(3-phenylpropylamino)phenyl]benzamide has a molecular weight of 360.46 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(3-phenylpropylamino)phenyl]benzamide is sourced from PubChem (CID 112984743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).