[1-(dibenzylamino)-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate

C28H28N2O4 — CID 46792741

IUPAC[1-(dibenzylamino)-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate
SMILESCC(OC(=O)c1ccc(NC(=O)C2CC2)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H28N2O4/c1-20(34-28(33)24-14-16-25(17-15-24)29-26(31)23-12-13-23)27(32)30(18-21-8-4-2-5-9-21)19-22-10-6-3-7-11-22/h2-11,14-17,20,23H,12-13,18-19H2,1H3,(H,29,31)
InChIKeyZZWSIJHUROFIMD-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.81
Rot. Bonds9

About [1-(dibenzylamino)-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate

[1-(dibenzylamino)-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate (PubChem CID 46792741) has the molecular formula C28H28N2O4 and a molecular weight of 456.54 g/mol. Its IUPAC name is [1-(dibenzylamino)-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate.

Molecular Properties

Compound Name[1-(dibenzylamino)-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate
PubChem CID46792741
Molecular FormulaC28H28N2O4
Molecular Weight456.54 g/mol
Exact Mass456.20
IUPAC Name[1-(dibenzylamino)-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate
SMILESCC(OC(=O)c1ccc(NC(=O)C2CC2)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H28N2O4/c1-20(34-28(33)24-14-16-25(17-15-24)29-26(31)23-12-13-23)27(32)30(18-21-8-4-2-5-9-21)19-22-10-6-3-7-11-22/h2-11,14-17,20,23H,12-13,18-19H2,1H3,(H,29,31)
InChIKeyZZWSIJHUROFIMD-UHFFFAOYSA-N
XLogP4.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate
CID 46792773
[(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 2624891
[2-[benzyl(ethyl)amino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 18085391
[1-(dibenzylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 42972459
[1-(dibenzylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
CID 18274566
4-N-benzyl-1-N-phenyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109149711
4-O-[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 42898779
[2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 55320838
[(2S)-1-(dibenzylamino)-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 2572185
[1-oxo-1-(2,4,5-trichloroanilino)propan-2-yl] 4-(cyclopropanecarbonylamino)benzoate
CID 46792748
[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate
CID 42986216
[2-oxo-2-(1-phenylethylamino)ethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 18085650

Frequently Asked Questions

What is the IUPAC name of [1-(dibenzylamino)-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate?
The IUPAC name of [1-(dibenzylamino)-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate (CID 46792741) is [1-(dibenzylamino)-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate.
What is the SMILES notation for [1-(dibenzylamino)-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate?
The canonical SMILES for [1-(dibenzylamino)-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate is CC(OC(=O)c1ccc(NC(=O)C2CC2)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of [1-(dibenzylamino)-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate?
The InChIKey is ZZWSIJHUROFIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O4/c1-20(34-28(33)24-14-16-25(17-15-24)29-26(31)23-12-13-23)27(32)30(18-21-8-4-2-5-9-21)19-22-10-6-3-7-11-22/h2-11,14-17,20,23H,12-13,18-19H2,1H3,(H,29,31).
What are the key properties of [1-(dibenzylamino)-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate?
[1-(dibenzylamino)-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate has a molecular weight of 456.54 g/mol, XLogP of 4.81, 9 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] 4-(cyclopropanecarbonylamino)benzoate is sourced from PubChem (CID 46792741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).