N-[4-(diethylamino)phenyl]-2-(2-phenoxyanilino)acetamide

C24H27N3O2 — CID 109010429

IUPACN-[4-(diethylamino)phenyl]-2-(2-phenoxyanilino)acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C24H27N3O2/c1-3-27(4-2)20-16-14-19(15-17-20)26-24(28)18-25-22-12-8-9-13-23(22)29-21-10-6-5-7-11-21/h5-17,25H,3-4,18H2,1-2H3,(H,26,28)
InChIKeyGKXSEGAFFGKOMC-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.38
Rot. Bonds9

About N-[4-(diethylamino)phenyl]-2-(2-phenoxyanilino)acetamide

N-[4-(diethylamino)phenyl]-2-(2-phenoxyanilino)acetamide (PubChem CID 109010429) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-(2-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-(2-phenoxyanilino)acetamide
PubChem CID109010429
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[4-(diethylamino)phenyl]-2-(2-phenoxyanilino)acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C24H27N3O2/c1-3-27(4-2)20-16-14-19(15-17-20)26-24(28)18-25-22-12-8-9-13-23(22)29-21-10-6-5-7-11-21/h5-17,25H,3-4,18H2,1-2H3,(H,26,28)
InChIKeyGKXSEGAFFGKOMC-UHFFFAOYSA-N
XLogP5.38
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(diethylamino)anilino]-N-phenylacetamide
CID 70365941
2-(2-phenoxyanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7922856
2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373
N-(2-methoxyphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922855
2-(4-ethylanilino)-N-(2-phenoxyphenyl)acetamide
CID 109007685
2-[4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
CID 109007146
N-(2-ethyl-6-methylphenyl)-2-(2-phenoxyanilino)acetamide
CID 9102660
ethyl 2-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]benzoate
CID 109010741
2-(2-methoxyanilino)-N-phenylacetamide
CID 7636827
2-(2-chloroanilino)-N-(4-phenoxyphenyl)acetamide
CID 54810461
2-(2-chloroanilino)-N-(2-phenoxyphenyl)acetamide
CID 9098717
N-[4-(diethylamino)phenyl]-4-phenoxybenzamide
CID 7900350

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-(2-phenoxyanilino)acetamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-(2-phenoxyanilino)acetamide (CID 109010429) is N-[4-(diethylamino)phenyl]-2-(2-phenoxyanilino)acetamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-(2-phenoxyanilino)acetamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-(2-phenoxyanilino)acetamide is CCN(CC)c1ccc(NC(=O)CNc2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-(2-phenoxyanilino)acetamide?
The InChIKey is GKXSEGAFFGKOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-3-27(4-2)20-16-14-19(15-17-20)26-24(28)18-25-22-12-8-9-13-23(22)29-21-10-6-5-7-11-21/h5-17,25H,3-4,18H2,1-2H3,(H,26,28).
What are the key properties of N-[4-(diethylamino)phenyl]-2-(2-phenoxyanilino)acetamide?
N-[4-(diethylamino)phenyl]-2-(2-phenoxyanilino)acetamide has a molecular weight of 389.50 g/mol, XLogP of 5.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-(2-phenoxyanilino)acetamide is sourced from PubChem (CID 109010429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).