[4-(phenylcarbamoyl)phenyl]methyl 4-(diethylamino)benzoate

C25H26N2O3 — CID 7665240

IUPAC[4-(phenylcarbamoyl)phenyl]methyl 4-(diethylamino)benzoate
SMILESCCN(CC)c1ccc(C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C25H26N2O3/c1-3-27(4-2)23-16-14-21(15-17-23)25(29)30-18-19-10-12-20(13-11-19)24(28)26-22-8-6-5-7-9-22/h5-17H,3-4,18H2,1-2H3,(H,26,28)
InChIKeyMJVOXMYHNAKUJM-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.14
Rot. Bonds8

About [4-(phenylcarbamoyl)phenyl]methyl 4-(diethylamino)benzoate

[4-(phenylcarbamoyl)phenyl]methyl 4-(diethylamino)benzoate (PubChem CID 7665240) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is [4-(phenylcarbamoyl)phenyl]methyl 4-(diethylamino)benzoate.

Molecular Properties

Compound Name[4-(phenylcarbamoyl)phenyl]methyl 4-(diethylamino)benzoate
PubChem CID7665240
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name[4-(phenylcarbamoyl)phenyl]methyl 4-(diethylamino)benzoate
SMILESCCN(CC)c1ccc(C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C25H26N2O3/c1-3-27(4-2)23-16-14-21(15-17-23)25(29)30-18-19-10-12-20(13-11-19)24(28)26-22-8-6-5-7-9-22/h5-17H,3-4,18H2,1-2H3,(H,26,28)
InChIKeyMJVOXMYHNAKUJM-UHFFFAOYSA-N
XLogP5.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[4-(diethylamino)phenyl]-4-(phenylsulfamoyl)benzamide
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4-(dimethylamino)-N-[4-[2-oxo-2-(phenylmethoxyamino)ethyl]phenyl]benzamide
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[4-(phenylcarbamoyl)phenyl]methyl 5-methylpyrazine-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of [4-(phenylcarbamoyl)phenyl]methyl 4-(diethylamino)benzoate?
The IUPAC name of [4-(phenylcarbamoyl)phenyl]methyl 4-(diethylamino)benzoate (CID 7665240) is [4-(phenylcarbamoyl)phenyl]methyl 4-(diethylamino)benzoate.
What is the SMILES notation for [4-(phenylcarbamoyl)phenyl]methyl 4-(diethylamino)benzoate?
The canonical SMILES for [4-(phenylcarbamoyl)phenyl]methyl 4-(diethylamino)benzoate is CCN(CC)c1ccc(C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)cc1.
What is the InChIKey of [4-(phenylcarbamoyl)phenyl]methyl 4-(diethylamino)benzoate?
The InChIKey is MJVOXMYHNAKUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-3-27(4-2)23-16-14-21(15-17-23)25(29)30-18-19-10-12-20(13-11-19)24(28)26-22-8-6-5-7-9-22/h5-17H,3-4,18H2,1-2H3,(H,26,28).
What are the key properties of [4-(phenylcarbamoyl)phenyl]methyl 4-(diethylamino)benzoate?
[4-(phenylcarbamoyl)phenyl]methyl 4-(diethylamino)benzoate has a molecular weight of 402.49 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenylcarbamoyl)phenyl]methyl 4-(diethylamino)benzoate is sourced from PubChem (CID 7665240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).