N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide

C26H29N3O4 — CID 54836267

IUPACN-(2-methoxyethyl)-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
SMILESCOCCNC(=O)c1cccc(NCC(=O)Nc2cccc(OCCc3ccccc3)c2)c1
InChIInChI=1S/C26H29N3O4/c1-32-16-14-27-26(31)21-9-5-10-22(17-21)28-19-25(30)29-23-11-6-12-24(18-23)33-15-13-20-7-3-2-4-8-20/h2-12,17-18,28H,13-16,19H2,1H3,(H,27,31)(H,29,30)
InChIKeyAEAISXOQFVVBQQ-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.73
Rot. Bonds12

About N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide

N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide (PubChem CID 54836267) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
PubChem CID54836267
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC NameN-(2-methoxyethyl)-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
SMILESCOCCNC(=O)c1cccc(NCC(=O)Nc2cccc(OCCc3ccccc3)c2)c1
InChIInChI=1S/C26H29N3O4/c1-32-16-14-27-26(31)21-9-5-10-22(17-21)28-19-25(30)29-23-11-6-12-24(18-23)33-15-13-20-7-3-2-4-8-20/h2-12,17-18,28H,13-16,19H2,1H3,(H,27,31)(H,29,30)
InChIKeyAEAISXOQFVVBQQ-UHFFFAOYSA-N
XLogP3.73
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]benzamide
CID 54836169
N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54839558
N-tert-butyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54844265
3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54827524
N-(2-methoxyethyl)-3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54826584
N-(2-methoxyethyl)-3-[[3-(2-phenylethoxy)benzoyl]carbamothioylamino]benzamide
CID 17219345
N-benzyl-N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54841930
3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54825060
N-butyl-3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54834119
N-[3-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829756
3-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]-N-propylbenzamide
CID 54838865
N-(3-methoxypropyl)-3-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54837559

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide (CID 54836267) is N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide is COCCNC(=O)c1cccc(NCC(=O)Nc2cccc(OCCc3ccccc3)c2)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide?
The InChIKey is AEAISXOQFVVBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-32-16-14-27-26(31)21-9-5-10-22(17-21)28-19-25(30)29-23-11-6-12-24(18-23)33-15-13-20-7-3-2-4-8-20/h2-12,17-18,28H,13-16,19H2,1H3,(H,27,31)(H,29,30).
What are the key properties of N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide?
N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide has a molecular weight of 447.54 g/mol, XLogP of 3.73, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54836267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).