N-(4-ethoxyphenyl)-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide

C30H28N2O5 — CID 4954400

IUPACN-(4-ethoxyphenyl)-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2OCCOc2ccccc2)cc1
InChIInChI=1S/C30H28N2O5/c1-2-35-24-18-16-22(17-19-24)31-29(33)25-12-6-8-14-27(25)32-30(34)26-13-7-9-15-28(26)37-21-20-36-23-10-4-3-5-11-23/h3-19H,2,20-21H2,1H3,(H,31,33)(H,32,34)
InChIKeyWQVXYDFXBYVCQR-UHFFFAOYSA-N
MW496.56 g/mol
LogP6.05
Rot. Bonds11

About N-(4-ethoxyphenyl)-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide

N-(4-ethoxyphenyl)-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide (PubChem CID 4954400) has the molecular formula C30H28N2O5 and a molecular weight of 496.56 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide
PubChem CID4954400
Molecular FormulaC30H28N2O5
Molecular Weight496.56 g/mol
Exact Mass496.20
IUPAC NameN-(4-ethoxyphenyl)-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2OCCOc2ccccc2)cc1
InChIInChI=1S/C30H28N2O5/c1-2-35-24-18-16-22(17-19-24)31-29(33)25-12-6-8-14-27(25)32-30(34)26-13-7-9-15-28(26)37-21-20-36-23-10-4-3-5-11-23/h3-19H,2,20-21H2,1H3,(H,31,33)(H,32,34)
InChIKeyWQVXYDFXBYVCQR-UHFFFAOYSA-N
XLogP6.05
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.56
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954273
2-ethoxy-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130918
2-(2-phenoxyethoxy)-N-(4-propoxyphenyl)benzamide
CID 4954419
N-methyl-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17354042
2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958241
2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]benzamide
CID 17130609
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 4941456
N-[4-(2-ethoxyethoxy)phenyl]-2-phenylmethoxybenzamide
CID 17130628
2-butoxy-N-(4-propoxyphenyl)benzamide
CID 4943156
2-anilino-N-[4-(2-ethoxyethoxy)phenyl]benzamide
CID 54784907
N-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 19628186
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide (CID 4954400) is N-(4-ethoxyphenyl)-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide is CCOc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2OCCOc2ccccc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide?
The InChIKey is WQVXYDFXBYVCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O5/c1-2-35-24-18-16-22(17-19-24)31-29(33)25-12-6-8-14-27(25)32-30(34)26-13-7-9-15-28(26)37-21-20-36-23-10-4-3-5-11-23/h3-19H,2,20-21H2,1H3,(H,31,33)(H,32,34).
What are the key properties of N-(4-ethoxyphenyl)-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide?
N-(4-ethoxyphenyl)-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide has a molecular weight of 496.56 g/mol, XLogP of 6.05, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide is sourced from PubChem (CID 4954400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).