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

C24H25N3O3 — CID 54839558

IUPACN-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
SMILESCNC(=O)c1cccc(NCC(=O)Nc2cccc(OCCc3ccccc3)c2)c1
InChIInChI=1S/C24H25N3O3/c1-25-24(29)19-9-5-10-20(15-19)26-17-23(28)27-21-11-6-12-22(16-21)30-14-13-18-7-3-2-4-8-18/h2-12,15-16,26H,13-14,17H2,1H3,(H,25,29)(H,27,28)
InChIKeyKXMWMUJLCFCGNR-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.72
Rot. Bonds9

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

N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide (PubChem CID 54839558) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
PubChem CID54839558
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
SMILESCNC(=O)c1cccc(NCC(=O)Nc2cccc(OCCc3ccccc3)c2)c1
InChIInChI=1S/C24H25N3O3/c1-25-24(29)19-9-5-10-20(15-19)26-17-23(28)27-21-11-6-12-22(16-21)30-14-13-18-7-3-2-4-8-18/h2-12,15-16,26H,13-14,17H2,1H3,(H,25,29)(H,27,28)
InChIKeyKXMWMUJLCFCGNR-UHFFFAOYSA-N
XLogP3.72
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54844265
N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54836267
N-benzyl-N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54841930
3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844584
3-[[2-(3-heptoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54829228
N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]benzamide
CID 54836169
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 54827361
N-(3-chlorophenyl)-2-[3-(2-phenylethoxy)anilino]acetamide
CID 54828339
N-[3-(2-phenylethoxy)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841151
N-(2,6-dimethylphenyl)-2-[3-(2-phenylethoxy)anilino]acetamide
CID 54828309
N-[3-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829756
2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide
CID 54810854

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide?
The IUPAC name of N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide (CID 54839558) is N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide is CNC(=O)c1cccc(NCC(=O)Nc2cccc(OCCc3ccccc3)c2)c1.
What is the InChIKey of N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide?
The InChIKey is KXMWMUJLCFCGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-25-24(29)19-9-5-10-20(15-19)26-17-23(28)27-21-11-6-12-22(16-21)30-14-13-18-7-3-2-4-8-18/h2-12,15-16,26H,13-14,17H2,1H3,(H,25,29)(H,27,28).
What are the key properties of N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide?
N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide has a molecular weight of 403.48 g/mol, XLogP of 3.72, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54839558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).