4-[4-[(3-butoxyphenyl)methylcarbamoyl]phenoxy]benzamide

C25H26N2O4 — CID 56548843

IUPAC4-[4-[(3-butoxyphenyl)methylcarbamoyl]phenoxy]benzamide
SMILESCCCCOc1cccc(CNC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)c1
InChIInChI=1S/C25H26N2O4/c1-2-3-15-30-23-6-4-5-18(16-23)17-27-25(29)20-9-13-22(14-10-20)31-21-11-7-19(8-12-21)24(26)28/h4-14,16H,2-3,15,17H2,1H3,(H2,26,28)(H,27,29)
InChIKeyJLXLMBYMSNMGNK-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.69
Rot. Bonds10

About 4-[4-[(3-butoxyphenyl)methylcarbamoyl]phenoxy]benzamide

4-[4-[(3-butoxyphenyl)methylcarbamoyl]phenoxy]benzamide (PubChem CID 56548843) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 4-[4-[(3-butoxyphenyl)methylcarbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[(3-butoxyphenyl)methylcarbamoyl]phenoxy]benzamide
PubChem CID56548843
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name4-[4-[(3-butoxyphenyl)methylcarbamoyl]phenoxy]benzamide
SMILESCCCCOc1cccc(CNC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)c1
InChIInChI=1S/C25H26N2O4/c1-2-3-15-30-23-6-4-5-18(16-23)17-27-25(29)20-9-13-22(14-10-20)31-21-11-7-19(8-12-21)24(26)28/h4-14,16H,2-3,15,17H2,1H3,(H2,26,28)(H,27,29)
InChIKeyJLXLMBYMSNMGNK-UHFFFAOYSA-N
XLogP4.69
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
4-[4-[(3-propoxyphenyl)carbamoyl]phenoxy]benzamide
CID 56545720
3-[[(4-butoxybenzoyl)amino]methyl]-N,N-dimethylbenzamide
CID 46415615
4-(benzenesulfonamido)-N-[(3-butoxyphenyl)methyl]benzamide
CID 60517147
N-[(3-butoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 86996111
N-[(3-butoxyphenyl)methyl]-3-(methylsulfonylmethyl)benzamide
CID 55749632
N-[(3-butoxyphenyl)methyl]-3-ethylthiophene-2-carboxamide
CID 60566887
1-amino-N-[(3-butoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 83326258
4-butyl-N-[[3-[4-[1-(4-butylphenyl)ethenylamino]phenoxy]phenyl]methyl]benzamide
CID 143013733
3-[[(3-phenoxybenzoyl)amino]methyl]benzamide
CID 32636499
N-[(3-butoxyphenyl)methyl]-4-methyl-3-[(1Z,3E)-4-methylhexa-1,3-dienyl]benzamide
CID 143792921
N-[[3-[4-(3-phenylphenoxy)butoxy]phenyl]methyl]benzamide
CID 173183634

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-butoxyphenyl)methylcarbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[(3-butoxyphenyl)methylcarbamoyl]phenoxy]benzamide (CID 56548843) is 4-[4-[(3-butoxyphenyl)methylcarbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[(3-butoxyphenyl)methylcarbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[(3-butoxyphenyl)methylcarbamoyl]phenoxy]benzamide is CCCCOc1cccc(CNC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)c1.
What is the InChIKey of 4-[4-[(3-butoxyphenyl)methylcarbamoyl]phenoxy]benzamide?
The InChIKey is JLXLMBYMSNMGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-2-3-15-30-23-6-4-5-18(16-23)17-27-25(29)20-9-13-22(14-10-20)31-21-11-7-19(8-12-21)24(26)28/h4-14,16H,2-3,15,17H2,1H3,(H2,26,28)(H,27,29).
What are the key properties of 4-[4-[(3-butoxyphenyl)methylcarbamoyl]phenoxy]benzamide?
4-[4-[(3-butoxyphenyl)methylcarbamoyl]phenoxy]benzamide has a molecular weight of 418.49 g/mol, XLogP of 4.69, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-butoxyphenyl)methylcarbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56548843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).