3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-N-(2-phenylpropan-2-yl)butanamide

C21H30N4O2 — CID 11624893

IUPAC3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-N-(2-phenylpropan-2-yl)butanamide
SMILESCC(C)(CC(=O)NC(C)(C)c1ccccc1)NCC(=O)N1CCC[C@H]1C#N
InChIInChI=1S/C21H30N4O2/c1-20(2,23-15-19(27)25-12-8-11-17(25)14-22)13-18(26)24-21(3,4)16-9-6-5-7-10-16/h5-7,9-10,17,23H,8,11-13,15H2,1-4H3,(H,24,26)/t17-/m0/s1
InChIKeyGAALJUPHNLYJNQ-KRWDZBQOSA-N
MW370.50 g/mol
LogP2.31
Rot. Bonds7

About 3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-N-(2-phenylpropan-2-yl)butanamide

3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-N-(2-phenylpropan-2-yl)butanamide (PubChem CID 11624893) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-N-(2-phenylpropan-2-yl)butanamide.

Molecular Properties

Compound Name3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-N-(2-phenylpropan-2-yl)butanamide
PubChem CID11624893
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-N-(2-phenylpropan-2-yl)butanamide
SMILESCC(C)(CC(=O)NC(C)(C)c1ccccc1)NCC(=O)N1CCC[C@H]1C#N
InChIInChI=1S/C21H30N4O2/c1-20(2,23-15-19(27)25-12-8-11-17(25)14-22)13-18(26)24-21(3,4)16-9-6-5-7-10-16/h5-7,9-10,17,23H,8,11-13,15H2,1-4H3,(H,24,26)/t17-/m0/s1
InChIKeyGAALJUPHNLYJNQ-KRWDZBQOSA-N
XLogP2.31
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-N-(2-phenylpropan-2-yl)butanamide 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]-3-methyl-N-(2-phenylpropan-2-yl)butanamide?
The IUPAC name of 3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-N-(2-phenylpropan-2-yl)butanamide (CID 11624893) is 3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-N-(2-phenylpropan-2-yl)butanamide.
What is the SMILES notation for 3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-N-(2-phenylpropan-2-yl)butanamide?
The canonical SMILES for 3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-N-(2-phenylpropan-2-yl)butanamide is CC(C)(CC(=O)NC(C)(C)c1ccccc1)NCC(=O)N1CCC[C@H]1C#N.
What is the InChIKey of 3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-N-(2-phenylpropan-2-yl)butanamide?
The InChIKey is GAALJUPHNLYJNQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-20(2,23-15-19(27)25-12-8-11-17(25)14-22)13-18(26)24-21(3,4)16-9-6-5-7-10-16/h5-7,9-10,17,23H,8,11-13,15H2,1-4H3,(H,24,26)/t17-/m0/s1.
What are the key properties of 3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-N-(2-phenylpropan-2-yl)butanamide?
3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-N-(2-phenylpropan-2-yl)butanamide has a molecular weight of 370.50 g/mol, XLogP of 2.31, 7 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]-3-methyl-N-(2-phenylpropan-2-yl)butanamide is sourced from PubChem (CID 11624893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).