N,N-diethyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide

C27H31N3O4 — CID 54822926

IUPACN,N-diethyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CNc2ccc(OCCOc3ccccc3)cc2)c1
InChIInChI=1S/C27H31N3O4/c1-3-30(4-2)27(32)21-9-8-10-23(19-21)29-26(31)20-28-22-13-15-25(16-14-22)34-18-17-33-24-11-6-5-7-12-24/h5-16,19,28H,3-4,17-18,20H2,1-2H3,(H,29,31)
InChIKeyCPZNLNHJFCMORX-UHFFFAOYSA-N
MW461.56 g/mol
LogP4.68
Rot. Bonds12

About N,N-diethyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide

N,N-diethyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide (PubChem CID 54822926) has the molecular formula C27H31N3O4 and a molecular weight of 461.56 g/mol. Its IUPAC name is N,N-diethyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
PubChem CID54822926
Molecular FormulaC27H31N3O4
Molecular Weight461.56 g/mol
Exact Mass461.23
IUPAC NameN,N-diethyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CNc2ccc(OCCOc3ccccc3)cc2)c1
InChIInChI=1S/C27H31N3O4/c1-3-30(4-2)27(32)21-9-8-10-23(19-21)29-26(31)20-28-22-13-15-25(16-14-22)34-18-17-33-24-11-6-5-7-12-24/h5-16,19,28H,3-4,17-18,20H2,1-2H3,(H,29,31)
InChIKeyCPZNLNHJFCMORX-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': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54832527
N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide
CID 78775457
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide
CID 54837209
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8754906
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate
CID 8579079
N,N-diethyl-3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54836242
N,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54834104
3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841219
2-(4-methylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54813929
N,N-diethyl-4-[[2-[2-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54826939
2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54823077
N-[3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]hexanamide
CID 54822717

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide (CID 54822926) is N,N-diethyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide is CCN(CC)C(=O)c1cccc(NC(=O)CNc2ccc(OCCOc3ccccc3)cc2)c1.
What is the InChIKey of N,N-diethyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide?
The InChIKey is CPZNLNHJFCMORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4/c1-3-30(4-2)27(32)21-9-8-10-23(19-21)29-26(31)20-28-22-13-15-25(16-14-22)34-18-17-33-24-11-6-5-7-12-24/h5-16,19,28H,3-4,17-18,20H2,1-2H3,(H,29,31).
What are the key properties of N,N-diethyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide?
N,N-diethyl-3-[[2-[4-(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-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54822926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).