N-[[3-[4-(3-phenylphenoxy)butoxy]phenyl]methyl]benzamide

C30H29NO3 — CID 173183634

IUPACN-[[3-[4-(3-phenylphenoxy)butoxy]phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(OCCCCOc2cccc(-c3ccccc3)c2)c1)c1ccccc1
InChIInChI=1S/C30H29NO3/c32-30(26-14-5-2-6-15-26)31-23-24-11-9-17-28(21-24)33-19-7-8-20-34-29-18-10-16-27(22-29)25-12-3-1-4-13-25/h1-6,9-18,21-22H,7-8,19-20,23H2,(H,31,32)
InChIKeyQBPIGVFRNKMZCN-UHFFFAOYSA-N
MW451.57 g/mol
LogP6.52
Rot. Bonds11

About N-[[3-[4-(3-phenylphenoxy)butoxy]phenyl]methyl]benzamide

N-[[3-[4-(3-phenylphenoxy)butoxy]phenyl]methyl]benzamide (PubChem CID 173183634) has the molecular formula C30H29NO3 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[[3-[4-(3-phenylphenoxy)butoxy]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[3-[4-(3-phenylphenoxy)butoxy]phenyl]methyl]benzamide
PubChem CID173183634
Molecular FormulaC30H29NO3
Molecular Weight451.57 g/mol
Exact Mass451.21
IUPAC NameN-[[3-[4-(3-phenylphenoxy)butoxy]phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(OCCCCOc2cccc(-c3ccccc3)c2)c1)c1ccccc1
InChIInChI=1S/C30H29NO3/c32-30(26-14-5-2-6-15-26)31-23-24-11-9-17-28(21-24)33-19-7-8-20-34-29-18-10-16-27(22-29)25-12-3-1-4-13-25/h1-6,9-18,21-22H,7-8,19-20,23H2,(H,31,32)
InChIKeyQBPIGVFRNKMZCN-UHFFFAOYSA-N
XLogP6.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide
CID 173183648
3-[[(4-phenylbenzoyl)amino]methyl]benzoic acid
CID 108767634
N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 142337904
3-(benzamidomethyl)benzoic acid;ethane
CID 90875099
3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199628
4-[4-[(3-butoxyphenyl)methylcarbamoyl]phenoxy]benzamide
CID 56548843
4-(benzenesulfonamido)-N-[(3-butoxyphenyl)methyl]benzamide
CID 60517147
N-[(3-ethoxyphenyl)methyl]-4-nitrobenzamide
CID 71820489
N-benzyl-3-[2-(2-chlorophenoxy)ethoxy]benzamide
CID 7492331
N-[(3-butoxyphenyl)methyl]-3-(methylsulfonylmethyl)benzamide
CID 55749632
N-[[3-[4-(1,3-dioxol-2-yl)phenyl]phenyl]methyl]benzamide
CID 141050517
N-[(3-hydroxyphenyl)methyl]-3-propoxybenzamide
CID 61151190

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(3-phenylphenoxy)butoxy]phenyl]methyl]benzamide?
The IUPAC name of N-[[3-[4-(3-phenylphenoxy)butoxy]phenyl]methyl]benzamide (CID 173183634) is N-[[3-[4-(3-phenylphenoxy)butoxy]phenyl]methyl]benzamide.
What is the SMILES notation for N-[[3-[4-(3-phenylphenoxy)butoxy]phenyl]methyl]benzamide?
The canonical SMILES for N-[[3-[4-(3-phenylphenoxy)butoxy]phenyl]methyl]benzamide is O=C(NCc1cccc(OCCCCOc2cccc(-c3ccccc3)c2)c1)c1ccccc1.
What is the InChIKey of N-[[3-[4-(3-phenylphenoxy)butoxy]phenyl]methyl]benzamide?
The InChIKey is QBPIGVFRNKMZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO3/c32-30(26-14-5-2-6-15-26)31-23-24-11-9-17-28(21-24)33-19-7-8-20-34-29-18-10-16-27(22-29)25-12-3-1-4-13-25/h1-6,9-18,21-22H,7-8,19-20,23H2,(H,31,32).
What are the key properties of N-[[3-[4-(3-phenylphenoxy)butoxy]phenyl]methyl]benzamide?
N-[[3-[4-(3-phenylphenoxy)butoxy]phenyl]methyl]benzamide has a molecular weight of 451.57 g/mol, XLogP of 6.52, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(3-phenylphenoxy)butoxy]phenyl]methyl]benzamide is sourced from PubChem (CID 173183634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).