N-(3-anilinopropyl)-4-phenylmethoxybenzamide

C23H24N2O2 — CID 56586584

IUPACN-(3-anilinopropyl)-4-phenylmethoxybenzamide
SMILESO=C(NCCCNc1ccccc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H24N2O2/c26-23(25-17-7-16-24-21-10-5-2-6-11-21)20-12-14-22(15-13-20)27-18-19-8-3-1-4-9-19/h1-6,8-15,24H,7,16-18H2,(H,25,26)
InChIKeyPBFJILUWYPYXKI-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.50
Rot. Bonds9

About N-(3-anilinopropyl)-4-phenylmethoxybenzamide

N-(3-anilinopropyl)-4-phenylmethoxybenzamide (PubChem CID 56586584) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(3-anilinopropyl)-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(3-anilinopropyl)-4-phenylmethoxybenzamide
PubChem CID56586584
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC NameN-(3-anilinopropyl)-4-phenylmethoxybenzamide
SMILESO=C(NCCCNc1ccccc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H24N2O2/c26-23(25-17-7-16-24-21-10-5-2-6-11-21)20-12-14-22(15-13-20)27-18-19-8-3-1-4-9-19/h1-6,8-15,24H,7,16-18H2,(H,25,26)
InChIKeyPBFJILUWYPYXKI-UHFFFAOYSA-N
XLogP4.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.50
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

N-(2-hydroxyethyl)-4-phenylmethoxybenzamide
CID 10825986
N-(3-anilinopropyl)-4-(cyclopropylmethoxy)benzamide
CID 56541657
N-(2-aminoethyl)-4-phenylmethoxybenzamide
CID 13064036
4-phenylmethoxy-N-propylbenzamide
CID 4958389
4-(acetamidomethyl)-N-[4-(4-phenylmethoxyphenoxy)butyl]benzamide
CID 24672965
4-phenylmethoxybenzoyl fluoride
CID 154719359
N-(3-morpholin-4-ylpropyl)-4-phenylmethoxybenzamide
CID 17459626
N-[2-(4-tert-butylphenyl)ethyl]-4-(4-phenylmethoxyphenyl)benzamide
CID 139904878
N-methyl-4-phenylmethoxybenzamide
CID 2996745
N-(3-anilinopropyl)-2-phenylacetamide
CID 102467435
N-butyl-3-(4-phenylmethoxyanilino)propanamide
CID 109012323
3-[[4-[6-(4-phenylmethoxyphenoxy)hexyl]benzoyl]amino]propanoic acid
CID 67485301

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinopropyl)-4-phenylmethoxybenzamide?
The IUPAC name of N-(3-anilinopropyl)-4-phenylmethoxybenzamide (CID 56586584) is N-(3-anilinopropyl)-4-phenylmethoxybenzamide.
What is the SMILES notation for N-(3-anilinopropyl)-4-phenylmethoxybenzamide?
The canonical SMILES for N-(3-anilinopropyl)-4-phenylmethoxybenzamide is O=C(NCCCNc1ccccc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(3-anilinopropyl)-4-phenylmethoxybenzamide?
The InChIKey is PBFJILUWYPYXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-23(25-17-7-16-24-21-10-5-2-6-11-21)20-12-14-22(15-13-20)27-18-19-8-3-1-4-9-19/h1-6,8-15,24H,7,16-18H2,(H,25,26).
What are the key properties of N-(3-anilinopropyl)-4-phenylmethoxybenzamide?
N-(3-anilinopropyl)-4-phenylmethoxybenzamide has a molecular weight of 360.46 g/mol, XLogP of 4.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinopropyl)-4-phenylmethoxybenzamide is sourced from PubChem (CID 56586584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).