1-(N-ethylanilino)ethyl 4-phenylbenzoate

C23H23NO2 — CID 70632799

IUPAC1-(N-ethylanilino)ethyl 4-phenylbenzoate
SMILESCCN(c1ccccc1)C(C)OC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23NO2/c1-3-24(22-12-8-5-9-13-22)18(2)26-23(25)21-16-14-20(15-17-21)19-10-6-4-7-11-19/h4-18H,3H2,1-2H3
InChIKeyQADBFUCNGZPXKT-UHFFFAOYSA-N
MW345.44 g/mol
LogP5.38
Rot. Bonds6

About 1-(N-ethylanilino)ethyl 4-phenylbenzoate

1-(N-ethylanilino)ethyl 4-phenylbenzoate (PubChem CID 70632799) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-(N-ethylanilino)ethyl 4-phenylbenzoate.

Molecular Properties

Compound Name1-(N-ethylanilino)ethyl 4-phenylbenzoate
PubChem CID70632799
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name1-(N-ethylanilino)ethyl 4-phenylbenzoate
SMILESCCN(c1ccccc1)C(C)OC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23NO2/c1-3-24(22-12-8-5-9-13-22)18(2)26-23(25)21-16-14-20(15-17-21)19-10-6-4-7-11-19/h4-18H,3H2,1-2H3
InChIKeyQADBFUCNGZPXKT-UHFFFAOYSA-N
XLogP5.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(1S)-1-phenylethyl] 4-[4-[4-[(1S)-1-phenylethoxy]carbonylphenyl]phenyl]benzoate
CID 67736899
ethyl 4-(N-[4-[4-(N-(4-ethoxycarbonylphenyl)anilino)phenyl]phenyl]anilino)benzoate
CID 69243202
ethyl 4-[4-(N-[4-(4-ethoxycarbonylphenyl)phenyl]-4-phenylanilino)phenyl]benzoate
CID 14669998
[4-(benzenesulfonyl)phenyl] 1-(N-ethylanilino)ethyl carbonate
CID 70632289
[1-(2,6-diethylanilino)-1-oxopropan-2-yl] 4-phenylbenzoate
CID 5007117
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-phenylbenzoate
CID 18080375
N,N-bis[(2R)-butan-2-yl]-4-phenylbenzamide
CID 2169877
ethyl-(4-phenylbenzoyl)oxychloranium
CID 148936273
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-phenylbenzoate
CID 2520636
1-(N-ethylanilino)ethyl [4-(2,4,4-trimethylpentan-2-yl)phenyl] carbonate
CID 21420364
4-[ethyl(propan-2-yl)amino]benzoic acid
CID 43265964

Frequently Asked Questions

What is the IUPAC name of 1-(N-ethylanilino)ethyl 4-phenylbenzoate?
The IUPAC name of 1-(N-ethylanilino)ethyl 4-phenylbenzoate (CID 70632799) is 1-(N-ethylanilino)ethyl 4-phenylbenzoate.
What is the SMILES notation for 1-(N-ethylanilino)ethyl 4-phenylbenzoate?
The canonical SMILES for 1-(N-ethylanilino)ethyl 4-phenylbenzoate is CCN(c1ccccc1)C(C)OC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(N-ethylanilino)ethyl 4-phenylbenzoate?
The InChIKey is QADBFUCNGZPXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-3-24(22-12-8-5-9-13-22)18(2)26-23(25)21-16-14-20(15-17-21)19-10-6-4-7-11-19/h4-18H,3H2,1-2H3.
What are the key properties of 1-(N-ethylanilino)ethyl 4-phenylbenzoate?
1-(N-ethylanilino)ethyl 4-phenylbenzoate has a molecular weight of 345.44 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-ethylanilino)ethyl 4-phenylbenzoate is sourced from PubChem (CID 70632799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).