N-benzyl-2-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide

C25H26N2O4 — CID 17112651

IUPACN-benzyl-2-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide
SMILESCCOCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C25H26N2O4/c1-2-30-16-17-31-21-14-12-20(13-15-21)24(28)27-23-11-7-6-10-22(23)25(29)26-18-19-8-4-3-5-9-19/h3-15H,2,16-18H2,1H3,(H,26,29)(H,27,28)
InChIKeyIHMCHUHJONDNDN-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.28
Rot. Bonds10

About N-benzyl-2-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide

N-benzyl-2-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide (PubChem CID 17112651) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-benzyl-2-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide
PubChem CID17112651
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC NameN-benzyl-2-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide
SMILESCCOCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C25H26N2O4/c1-2-30-16-17-31-21-14-12-20(13-15-21)24(28)27-23-11-7-6-10-22(23)25(29)26-18-19-8-4-3-5-9-19/h3-15H,2,16-18H2,1H3,(H,26,29)(H,27,28)
InChIKeyIHMCHUHJONDNDN-UHFFFAOYSA-N
XLogP4.28
TPSA76.66 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 ≤ 54.28
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-benzyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 4952787
N-benzyl-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 4945203
N-benzyl-3-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide
CID 28638954
2-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide
CID 17112659
N-methyl-2-[[4-(2-phenylethoxy)benzoyl]amino]benzamide
CID 17354045
N-benzyl-2-[(4-bromobenzoyl)amino]benzamide
CID 17256451
N-(2-methoxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17150371
N-benzyl-2-[(3-propoxybenzoyl)amino]benzamide
CID 4960084
N-benzyl-2-[(3-ethoxybenzoyl)amino]benzamide
CID 4957453
N-benzyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 895615
N-benzyl-2-[[2-(2-ethoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17123042
2-[(4-ethylbenzoyl)amino]-N-(2-phenoxyethyl)benzamide
CID 5298546

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide (CID 17112651) is N-benzyl-2-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide is CCOCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide?
The InChIKey is IHMCHUHJONDNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-2-30-16-17-31-21-14-12-20(13-15-21)24(28)27-23-11-7-6-10-22(23)25(29)26-18-19-8-4-3-5-9-19/h3-15H,2,16-18H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-benzyl-2-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide?
N-benzyl-2-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide has a molecular weight of 418.49 g/mol, XLogP of 4.28, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide is sourced from PubChem (CID 17112651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).