[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-benzamido-3-phenylpropanoate

C27H26N2O4 — CID 46825007

IUPAC[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-benzamido-3-phenylpropanoate
SMILESO=C(CC(NC(=O)c1ccccc1)c1ccccc1)OC(C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C27H26N2O4/c30-24(33-25(20-12-6-2-7-13-20)27(32)28-22-16-17-22)18-23(19-10-4-1-5-11-19)29-26(31)21-14-8-3-9-15-21/h1-15,22-23,25H,16-18H2,(H,28,32)(H,29,31)
InChIKeyZVEQWFZHPVGQIR-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.11
Rot. Bonds9

About [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-benzamido-3-phenylpropanoate

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-benzamido-3-phenylpropanoate (PubChem CID 46825007) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-benzamido-3-phenylpropanoate
PubChem CID46825007
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Name[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-benzamido-3-phenylpropanoate
SMILESO=C(CC(NC(=O)c1ccccc1)c1ccccc1)OC(C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C27H26N2O4/c30-24(33-25(20-12-6-2-7-13-20)27(32)28-22-16-17-22)18-23(19-10-4-1-5-11-19)29-26(31)21-14-8-3-9-15-21/h1-15,22-23,25H,16-18H2,(H,28,32)(H,29,31)
InChIKeyZVEQWFZHPVGQIR-UHFFFAOYSA-N
XLogP4.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-benzamido-3-phenylpropanoate
CID 42970740
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate
CID 7132735
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 18286806
N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
CID 2547647
ethyl 3-[[4-(cyclopropylcarbamoylamino)benzoyl]amino]-3-phenylpropanoate
CID 48588082
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9414934
methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(2-fluorophenyl)propanoate
CID 8514509
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 55390523
cyanomethyl (3R)-3-benzamido-3-phenylpropanoate
CID 7214927

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-benzamido-3-phenylpropanoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-benzamido-3-phenylpropanoate (CID 46825007) is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-benzamido-3-phenylpropanoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-benzamido-3-phenylpropanoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-benzamido-3-phenylpropanoate is O=C(CC(NC(=O)c1ccccc1)c1ccccc1)OC(C(=O)NC1CC1)c1ccccc1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-benzamido-3-phenylpropanoate?
The InChIKey is ZVEQWFZHPVGQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c30-24(33-25(20-12-6-2-7-13-20)27(32)28-22-16-17-22)18-23(19-10-4-1-5-11-19)29-26(31)21-14-8-3-9-15-21/h1-15,22-23,25H,16-18H2,(H,28,32)(H,29,31).
What are the key properties of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-benzamido-3-phenylpropanoate?
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-benzamido-3-phenylpropanoate has a molecular weight of 442.52 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-benzamido-3-phenylpropanoate is sourced from PubChem (CID 46825007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).