N,N-diethyl-4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide

C27H31N3O4 — CID 54826939

IUPACN,N-diethyl-4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CNc2ccccc2OCCOc2ccccc2)cc1
InChIInChI=1S/C27H31N3O4/c1-3-30(4-2)27(32)21-14-16-22(17-15-21)29-26(31)20-28-24-12-8-9-13-25(24)34-19-18-33-23-10-6-5-7-11-23/h5-17,28H,3-4,18-20H2,1-2H3,(H,29,31)
InChIKeyWLTRFOKEQLAVKD-UHFFFAOYSA-N
MW461.56 g/mol
LogP4.68
Rot. Bonds12

About N,N-diethyl-4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide

N,N-diethyl-4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide (PubChem CID 54826939) has the molecular formula C27H31N3O4 and a molecular weight of 461.56 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
PubChem CID54826939
Molecular FormulaC27H31N3O4
Molecular Weight461.56 g/mol
Exact Mass461.23
IUPAC NameN,N-diethyl-4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CNc2ccccc2OCCOc2ccccc2)cc1
InChIInChI=1S/C27H31N3O4/c1-3-30(4-2)27(32)21-14-16-22(17-15-21)29-26(31)20-28-24-12-8-9-13-25(24)34-19-18-33-23-10-6-5-7-11-23/h5-17,28H,3-4,18-20H2,1-2H3,(H,29,31)
InChIKeyWLTRFOKEQLAVKD-UHFFFAOYSA-N
XLogP4.68
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54834104
N-[4-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54826935
N,N-diethyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822926
2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54828232
N-(3,5-dimethylphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827087
N,N-diethyl-4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
CID 37221073
2-(2-ethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54817274
N-(2-ethoxyphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827090
4-[[2-(4-ethoxyanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54811099
2-[2-(2-ethoxyethoxy)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 54827411
2-[2-(2-ethoxyethoxy)anilino]-N-(4-propoxyphenyl)acetamide
CID 54827535

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide (CID 54826939) is N,N-diethyl-4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)CNc2ccccc2OCCOc2ccccc2)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide?
The InChIKey is WLTRFOKEQLAVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4/c1-3-30(4-2)27(32)21-14-16-22(17-15-21)29-26(31)20-28-24-12-8-9-13-25(24)34-19-18-33-23-10-6-5-7-11-23/h5-17,28H,3-4,18-20H2,1-2H3,(H,29,31).
What are the key properties of N,N-diethyl-4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide?
N,N-diethyl-4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide has a molecular weight of 461.56 g/mol, XLogP of 4.68, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54826939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).