N-cyclohexyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide

C29H33N3O4 — CID 54822775

IUPACN-cyclohexyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
SMILESO=C(CNc1ccc(OCCOc2ccccc2)cc1)Nc1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C29H33N3O4/c33-28(31-25-11-7-8-22(20-25)29(34)32-24-9-3-1-4-10-24)21-30-23-14-16-27(17-15-23)36-19-18-35-26-12-5-2-6-13-26/h2,5-8,11-17,20,24,30H,1,3-4,9-10,18-19,21H2,(H,31,33)(H,32,34)
InChIKeyVHNXYQWYXVKVPF-UHFFFAOYSA-N
MW487.60 g/mol
LogP5.26
Rot. Bonds11

About N-cyclohexyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide

N-cyclohexyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide (PubChem CID 54822775) has the molecular formula C29H33N3O4 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-cyclohexyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
PubChem CID54822775
Molecular FormulaC29H33N3O4
Molecular Weight487.60 g/mol
Exact Mass487.25
IUPAC NameN-cyclohexyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
SMILESO=C(CNc1ccc(OCCOc2ccccc2)cc1)Nc1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C29H33N3O4/c33-28(31-25-11-7-8-22(20-25)29(34)32-24-9-3-1-4-10-24)21-30-23-14-16-27(17-15-23)36-19-18-35-26-12-5-2-6-13-26/h2,5-8,11-17,20,24,30H,1,3-4,9-10,18-19,21H2,(H,31,33)(H,32,34)
InChIKeyVHNXYQWYXVKVPF-UHFFFAOYSA-N
XLogP5.26
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-3-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54822029
N-cyclohexyl-4-[[2-[3-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54825662
N-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54831160
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035
3-[[2-(3-benzamidoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54839098
3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54844067
N-[3-(azepane-1-carbonyl)phenyl]-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822838
N-cyclohexyl-3-[[2-[4-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846290
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54844186
3-[[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842054
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822959
N-butyl-3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54843817

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide (CID 54822775) is N-cyclohexyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide is O=C(CNc1ccc(OCCOc2ccccc2)cc1)Nc1cccc(C(=O)NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide?
The InChIKey is VHNXYQWYXVKVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O4/c33-28(31-25-11-7-8-22(20-25)29(34)32-24-9-3-1-4-10-24)21-30-23-14-16-27(17-15-23)36-19-18-35-26-12-5-2-6-13-26/h2,5-8,11-17,20,24,30H,1,3-4,9-10,18-19,21H2,(H,31,33)(H,32,34).
What are the key properties of N-cyclohexyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide?
N-cyclohexyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide has a molecular weight of 487.60 g/mol, XLogP of 5.26, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54822775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).