N-(2-methoxyethyl)-4-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide

C26H29N3O5 — CID 54836272

IUPACN-(2-methoxyethyl)-4-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
SMILESCOCCNC(=O)c1ccc(NCC(=O)Nc2ccccc2OCCOc2ccccc2)cc1
InChIInChI=1S/C26H29N3O5/c1-32-16-15-27-26(31)20-11-13-21(14-12-20)28-19-25(30)29-23-9-5-6-10-24(23)34-18-17-33-22-7-3-2-4-8-22/h2-14,28H,15-19H2,1H3,(H,27,31)(H,29,30)
InChIKeyRFGRGKCUQOOEDC-UHFFFAOYSA-N
MW463.53 g/mol
LogP3.57
Rot. Bonds13

About N-(2-methoxyethyl)-4-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide

N-(2-methoxyethyl)-4-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide (PubChem CID 54836272) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
PubChem CID54836272
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC NameN-(2-methoxyethyl)-4-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
SMILESCOCCNC(=O)c1ccc(NCC(=O)Nc2ccccc2OCCOc2ccccc2)cc1
InChIInChI=1S/C26H29N3O5/c1-32-16-15-27-26(31)20-11-13-21(14-12-20)28-19-25(30)29-23-9-5-6-10-24(23)34-18-17-33-22-7-3-2-4-8-22/h2-14,28H,15-19H2,1H3,(H,27,31)(H,29,30)
InChIKeyRFGRGKCUQOOEDC-UHFFFAOYSA-N
XLogP3.57
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54827216
N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820282
N-(2-ethoxyphenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822263
4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835567
N-(2-methoxyethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
CID 54822703
N-(2-methoxyethyl)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide
CID 54836110
N-(3-methoxypropyl)-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54835570
4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836079
N-ethyl-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54839113
4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836074
N-(2-ethoxyphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827090
2-(2-ethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54817274

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide (CID 54836272) is N-(2-methoxyethyl)-4-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide is COCCNC(=O)c1ccc(NCC(=O)Nc2ccccc2OCCOc2ccccc2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide?
The InChIKey is RFGRGKCUQOOEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-32-16-15-27-26(31)20-11-13-21(14-12-20)28-19-25(30)29-23-9-5-6-10-24(23)34-18-17-33-22-7-3-2-4-8-22/h2-14,28H,15-19H2,1H3,(H,27,31)(H,29,30).
What are the key properties of N-(2-methoxyethyl)-4-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide?
N-(2-methoxyethyl)-4-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide has a molecular weight of 463.53 g/mol, XLogP of 3.57, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[[2-oxo-2-[2-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54836272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).