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

C25H27N3O4 — CID 54839113

IUPACN-ethyl-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NCC(=O)Nc2ccc(OCCOc3ccccc3)cc2)cc1
InChIInChI=1S/C25H27N3O4/c1-2-26-25(30)19-8-10-20(11-9-19)27-18-24(29)28-21-12-14-23(15-13-21)32-17-16-31-22-6-4-3-5-7-22/h3-15,27H,2,16-18H2,1H3,(H,26,30)(H,28,29)
InChIKeyOCPYBYMMZXUCFM-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.94
Rot. Bonds11

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

N-ethyl-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide (PubChem CID 54839113) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-ethyl-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
PubChem CID54839113
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-ethyl-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NCC(=O)Nc2ccc(OCCOc3ccccc3)cc2)cc1
InChIInChI=1S/C25H27N3O4/c1-2-26-25(30)19-8-10-20(11-9-19)27-18-24(29)28-21-12-14-23(15-13-21)32-17-16-31-22-6-4-3-5-7-22/h3-15,27H,2,16-18H2,1H3,(H,26,30)(H,28,29)
InChIKeyOCPYBYMMZXUCFM-UHFFFAOYSA-N
XLogP3.94
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.94
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-ethyl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide
CID 54823874
N-methyl-4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54823116
2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54823077
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54822685
N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54835679
N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839505
4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]-N-propylbenzamide
CID 54836155
N-(4-methoxyphenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54823074
N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide
CID 54810964
N-butyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54825518
N-ethyl-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54839192
4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54827216

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide?
The IUPAC name of N-ethyl-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide (CID 54839113) is N-ethyl-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide.
What is the SMILES notation for N-ethyl-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide?
The canonical SMILES for N-ethyl-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide is CCNC(=O)c1ccc(NCC(=O)Nc2ccc(OCCOc3ccccc3)cc2)cc1.
What is the InChIKey of N-ethyl-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide?
The InChIKey is OCPYBYMMZXUCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-2-26-25(30)19-8-10-20(11-9-19)27-18-24(29)28-21-12-14-23(15-13-21)32-17-16-31-22-6-4-3-5-7-22/h3-15,27H,2,16-18H2,1H3,(H,26,30)(H,28,29).
What are the key properties of N-ethyl-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide?
N-ethyl-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide has a molecular weight of 433.51 g/mol, XLogP of 3.94, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54839113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).