3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-(2-phenylethyl)propanamide

C18H24N4O2 — CID 11566106

IUPAC3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-(2-phenylethyl)propanamide
SMILESN#C[C@@H]1CCCN1C(=O)CNCCC(=O)NCCc1ccccc1
InChIInChI=1S/C18H24N4O2/c19-13-16-7-4-12-22(16)18(24)14-20-10-9-17(23)21-11-8-15-5-2-1-3-6-15/h1-3,5-6,16,20H,4,7-12,14H2,(H,21,23)/t16-/m0/s1
InChIKeyHBNLROSMYAVTTQ-INIZCTEOSA-N
MW328.42 g/mol
LogP0.84
Rot. Bonds8

About 3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-(2-phenylethyl)propanamide

3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-(2-phenylethyl)propanamide (PubChem CID 11566106) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-(2-phenylethyl)propanamide
PubChem CID11566106
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-(2-phenylethyl)propanamide
SMILESN#C[C@@H]1CCCN1C(=O)CNCCC(=O)NCCc1ccccc1
InChIInChI=1S/C18H24N4O2/c19-13-16-7-4-12-22(16)18(24)14-20-10-9-17(23)21-11-8-15-5-2-1-3-6-15/h1-3,5-6,16,20H,4,7-12,14H2,(H,21,23)/t16-/m0/s1
InChIKeyHBNLROSMYAVTTQ-INIZCTEOSA-N
XLogP0.84
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-(2-phenylethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-(2-phenylethyl)propanamide (CID 11566106) is 3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-(2-phenylethyl)propanamide is N#C[C@@H]1CCCN1C(=O)CNCCC(=O)NCCc1ccccc1.
What is the InChIKey of 3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-(2-phenylethyl)propanamide?
The InChIKey is HBNLROSMYAVTTQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O2/c19-13-16-7-4-12-22(16)18(24)14-20-10-9-17(23)21-11-8-15-5-2-1-3-6-15/h1-3,5-6,16,20H,4,7-12,14H2,(H,21,23)/t16-/m0/s1.
What are the key properties of 3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-(2-phenylethyl)propanamide?
3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-(2-phenylethyl)propanamide has a molecular weight of 328.42 g/mol, XLogP of 0.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 11566106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).