2-butoxy-N-[4-[[4-[(2-butoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide

C35H38N2O4 — CID 4941899

IUPAC2-butoxy-N-[4-[[4-[(2-butoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
SMILESCCCCOc1ccccc1C(=O)Nc1ccc(Cc2ccc(NC(=O)c3ccccc3OCCCC)cc2)cc1
InChIInChI=1S/C35H38N2O4/c1-3-5-23-40-32-13-9-7-11-30(32)34(38)36-28-19-15-26(16-20-28)25-27-17-21-29(22-18-27)37-35(39)31-12-8-10-14-33(31)41-24-6-4-2/h7-22H,3-6,23-25H2,1-2H3,(H,36,38)(H,37,39)
InChIKeyJRMPYRUWPAHLQJ-UHFFFAOYSA-N
MW550.70 g/mol
LogP8.14
Rot. Bonds14

About 2-butoxy-N-[4-[[4-[(2-butoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide

2-butoxy-N-[4-[[4-[(2-butoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide (PubChem CID 4941899) has the molecular formula C35H38N2O4 and a molecular weight of 550.70 g/mol. Its IUPAC name is 2-butoxy-N-[4-[[4-[(2-butoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide.

Molecular Properties

Compound Name2-butoxy-N-[4-[[4-[(2-butoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
PubChem CID4941899
Molecular FormulaC35H38N2O4
Molecular Weight550.70 g/mol
Exact Mass550.28
IUPAC Name2-butoxy-N-[4-[[4-[(2-butoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
SMILESCCCCOc1ccccc1C(=O)Nc1ccc(Cc2ccc(NC(=O)c3ccccc3OCCCC)cc2)cc1
InChIInChI=1S/C35H38N2O4/c1-3-5-23-40-32-13-9-7-11-30(32)34(38)36-28-19-15-26(16-20-28)25-27-17-21-29(22-18-27)37-35(39)31-12-8-10-14-33(31)41-24-6-4-2/h7-22H,3-6,23-25H2,1-2H3,(H,36,38)(H,37,39)
InChIKeyJRMPYRUWPAHLQJ-UHFFFAOYSA-N
XLogP8.14
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.70
LogP ≤ 58.14
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

2-butoxy-N-(4-methylphenyl)benzamide
CID 4940933
2-butoxy-N-(4-propoxyphenyl)benzamide
CID 4943156
2-pentoxy-N-(4-propoxyphenyl)benzamide
CID 4946753
N-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 19628186
2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 28642652
2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958241
methyl 4-[(2-pentoxybenzoyl)amino]benzoate
CID 4946584
2-(2-phenoxyethoxy)-N-(4-propoxyphenyl)benzamide
CID 4954419
N-(3-acetamidophenyl)-2-butoxybenzamide
CID 17189815
N-[4-(diethylamino)phenyl]-2-hexoxybenzamide
CID 4941952
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-butoxy-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 4940978

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[4-[[4-[(2-butoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide?
The IUPAC name of 2-butoxy-N-[4-[[4-[(2-butoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide (CID 4941899) is 2-butoxy-N-[4-[[4-[(2-butoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide.
What is the SMILES notation for 2-butoxy-N-[4-[[4-[(2-butoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide?
The canonical SMILES for 2-butoxy-N-[4-[[4-[(2-butoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide is CCCCOc1ccccc1C(=O)Nc1ccc(Cc2ccc(NC(=O)c3ccccc3OCCCC)cc2)cc1.
What is the InChIKey of 2-butoxy-N-[4-[[4-[(2-butoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide?
The InChIKey is JRMPYRUWPAHLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N2O4/c1-3-5-23-40-32-13-9-7-11-30(32)34(38)36-28-19-15-26(16-20-28)25-27-17-21-29(22-18-27)37-35(39)31-12-8-10-14-33(31)41-24-6-4-2/h7-22H,3-6,23-25H2,1-2H3,(H,36,38)(H,37,39).
What are the key properties of 2-butoxy-N-[4-[[4-[(2-butoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide?
2-butoxy-N-[4-[[4-[(2-butoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide has a molecular weight of 550.70 g/mol, XLogP of 8.14, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[4-[[4-[(2-butoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide is sourced from PubChem (CID 4941899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).