[2-(dibenzylamino)-2-oxoethyl] 3-acetamidobenzoate

C25H24N2O4 — CID 7842609

IUPAC[2-(dibenzylamino)-2-oxoethyl] 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)OCC(=O)N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C25H24N2O4/c1-19(28)26-23-14-8-13-22(15-23)25(30)31-18-24(29)27(16-20-9-4-2-5-10-20)17-21-11-6-3-7-12-21/h2-15H,16-18H2,1H3,(H,26,28)
InChIKeyNYYYCPZEKIXKIA-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.03
Rot. Bonds8

About [2-(dibenzylamino)-2-oxoethyl] 3-acetamidobenzoate

[2-(dibenzylamino)-2-oxoethyl] 3-acetamidobenzoate (PubChem CID 7842609) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is [2-(dibenzylamino)-2-oxoethyl] 3-acetamidobenzoate.

Molecular Properties

Compound Name[2-(dibenzylamino)-2-oxoethyl] 3-acetamidobenzoate
PubChem CID7842609
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name[2-(dibenzylamino)-2-oxoethyl] 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)OCC(=O)N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C25H24N2O4/c1-19(28)26-23-14-8-13-22(15-23)25(30)31-18-24(29)27(16-20-9-4-2-5-10-20)17-21-11-6-3-7-12-21/h2-15H,16-18H2,1H3,(H,26,28)
InChIKeyNYYYCPZEKIXKIA-UHFFFAOYSA-N
XLogP4.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-acetamidobenzoate
CID 9491494
[1-(dibenzylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 42972459
[2-(dibenzylamino)-2-oxoethyl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 2531997
ethyl 3-acetamidobenzoate
CID 700589
[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 9015831
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-acetamidobenzoate
CID 7433764
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 3-acetamidobenzoate
CID 2582249
methyl 3-[[3-[benzyl(ethyl)amino]-3-oxopropanoyl]amino]benzoate
CID 108947389
2-(3-acetamidophenoxy)-N-benzyl-N-(2-phenylethyl)acetamide
CID 7698005
[2-(dibenzylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 7891947

Frequently Asked Questions

What is the IUPAC name of [2-(dibenzylamino)-2-oxoethyl] 3-acetamidobenzoate?
The IUPAC name of [2-(dibenzylamino)-2-oxoethyl] 3-acetamidobenzoate (CID 7842609) is [2-(dibenzylamino)-2-oxoethyl] 3-acetamidobenzoate.
What is the SMILES notation for [2-(dibenzylamino)-2-oxoethyl] 3-acetamidobenzoate?
The canonical SMILES for [2-(dibenzylamino)-2-oxoethyl] 3-acetamidobenzoate is CC(=O)Nc1cccc(C(=O)OCC(=O)N(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of [2-(dibenzylamino)-2-oxoethyl] 3-acetamidobenzoate?
The InChIKey is NYYYCPZEKIXKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-19(28)26-23-14-8-13-22(15-23)25(30)31-18-24(29)27(16-20-9-4-2-5-10-20)17-21-11-6-3-7-12-21/h2-15H,16-18H2,1H3,(H,26,28).
What are the key properties of [2-(dibenzylamino)-2-oxoethyl] 3-acetamidobenzoate?
[2-(dibenzylamino)-2-oxoethyl] 3-acetamidobenzoate has a molecular weight of 416.48 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dibenzylamino)-2-oxoethyl] 3-acetamidobenzoate is sourced from PubChem (CID 7842609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).