[1-(dibenzylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate

C26H26N2O4 — CID 42972459

IUPAC[1-(dibenzylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)OC(C)C(=O)N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C26H26N2O4/c1-19(32-26(31)23-14-9-15-24(16-23)27-20(2)29)25(30)28(17-21-10-5-3-6-11-21)18-22-12-7-4-8-13-22/h3-16,19H,17-18H2,1-2H3,(H,27,29)
InChIKeyAPWSIRFVHLOXPH-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.42
Rot. Bonds8

About [1-(dibenzylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate

[1-(dibenzylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate (PubChem CID 42972459) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is [1-(dibenzylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate.

Molecular Properties

Compound Name[1-(dibenzylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate
PubChem CID42972459
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name[1-(dibenzylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)OC(C)C(=O)N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C26H26N2O4/c1-19(32-26(31)23-14-9-15-24(16-23)27-20(2)29)25(30)28(17-21-10-5-3-6-11-21)18-22-12-7-4-8-13-22/h3-16,19H,17-18H2,1-2H3,(H,27,29)
InChIKeyAPWSIRFVHLOXPH-UHFFFAOYSA-N
XLogP4.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 3-(methylsulfamoyl)benzoate
CID 2607540
[2-(dibenzylamino)-2-oxoethyl] 3-acetamidobenzoate
CID 7842609
[(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 2624891
[(2S)-1-(dibenzylamino)-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 2572185
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7842363
propan-2-yl 3-[(2-phenylacetyl)amino]benzoate
CID 23905172
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] 3-(carbamoylamino)benzoate
CID 8603057
[1-(dibenzylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
CID 18274566
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7418317
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 3-phenoxybenzoate
CID 2123017
[1-(dibenzylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 55319467
methyl 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]benzoate
CID 33097599

Frequently Asked Questions

What is the IUPAC name of [1-(dibenzylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate?
The IUPAC name of [1-(dibenzylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate (CID 42972459) is [1-(dibenzylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate.
What is the SMILES notation for [1-(dibenzylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate?
The canonical SMILES for [1-(dibenzylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate is CC(=O)Nc1cccc(C(=O)OC(C)C(=O)N(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of [1-(dibenzylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate?
The InChIKey is APWSIRFVHLOXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-19(32-26(31)23-14-9-15-24(16-23)27-20(2)29)25(30)28(17-21-10-5-3-6-11-21)18-22-12-7-4-8-13-22/h3-16,19H,17-18H2,1-2H3,(H,27,29).
What are the key properties of [1-(dibenzylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate?
[1-(dibenzylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate has a molecular weight of 430.50 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dibenzylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate is sourced from PubChem (CID 42972459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).