N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide

C20H23N3O2 — CID 119410927

IUPACN-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
SMILESN[C@@H]1CCN(C(=O)CC(NC(=O)c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H23N3O2/c21-17-11-12-23(14-17)19(24)13-18(15-7-3-1-4-8-15)22-20(25)16-9-5-2-6-10-16/h1-10,17-18H,11-14,21H2,(H,22,25)/t17-,18?/m1/s1
InChIKeyBTZPFNGHXNYBOL-QNSVNVJESA-N
MW337.42 g/mol
LogP2.11
Rot. Bonds5

About N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide

N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 119410927) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
PubChem CID119410927
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
SMILESN[C@@H]1CCN(C(=O)CC(NC(=O)c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H23N3O2/c21-17-11-12-23(14-17)19(24)13-18(15-7-3-1-4-8-15)22-20(25)16-9-5-2-6-10-16/h1-10,17-18H,11-14,21H2,(H,22,25)/t17-,18?/m1/s1
InChIKeyBTZPFNGHXNYBOL-QNSVNVJESA-N
XLogP2.11
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-aminopiperidin-1-yl)-3-oxo-1-phenylpropyl]benzamide;hydrochloride
CID 119374484
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 119411136
N-[3-[3-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 119490077
4-(3-benzamido-3-phenylpropanoyl)morpholine-2-carboxylic acid
CID 119239627
N-[3-(2-methylmorpholin-4-yl)-3-oxo-1-phenylpropyl]benzamide
CID 51293034
N-[3-[3-(aminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 119485084
N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide
CID 119401596
1-(3-benzamido-3-phenylpropanoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119404
N-[2-(4-aminopiperidin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 119372896
N-[3-(4-ethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide
CID 78774048
N-[3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-oxo-1-phenylpropyl]-4-methylbenzamide;hydrochloride
CID 119638842
1-[(3R)-3-aminopyrrolidin-1-yl]-4,4,4-trifluoro-3-phenylbutan-1-one
CID 119411236

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide (CID 119410927) is N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide is N[C@@H]1CCN(C(=O)CC(NC(=O)c2ccccc2)c2ccccc2)C1.
What is the InChIKey of N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is BTZPFNGHXNYBOL-QNSVNVJESA-N. The full InChI is InChI=1S/C20H23N3O2/c21-17-11-12-23(14-17)19(24)13-18(15-7-3-1-4-8-15)22-20(25)16-9-5-2-6-10-16/h1-10,17-18H,11-14,21H2,(H,22,25)/t17-,18?/m1/s1.
What are the key properties of N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide?
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 337.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 119410927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).