2-[[(1S,2R)-2-cyanocyclopentyl]amino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

C20H25N5O3 — CID 124886577

IUPAC2-[[(1S,2R)-2-cyanocyclopentyl]amino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESC[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN[C@H]2CCC[C@H]2C#N)C1=O
InChIInChI=1S/C20H25N5O3/c1-20(11-10-14-6-3-2-4-7-14)18(27)25(19(28)23-20)24-17(26)13-22-16-9-5-8-15(16)12-21/h2-4,6-7,15-16,22H,5,8-11,13H2,1H3,(H,23,28)(H,24,26)/t15-,16-,20+/m0/s1
InChIKeyHDFGDDQZNCSJPV-TWOQFEAHSA-N
MW383.45 g/mol
LogP1.24
Rot. Bonds7

About 2-[[(1S,2R)-2-cyanocyclopentyl]amino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

2-[[(1S,2R)-2-cyanocyclopentyl]amino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (PubChem CID 124886577) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[[(1S,2R)-2-cyanocyclopentyl]amino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[[(1S,2R)-2-cyanocyclopentyl]amino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
PubChem CID124886577
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name2-[[(1S,2R)-2-cyanocyclopentyl]amino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESC[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN[C@H]2CCC[C@H]2C#N)C1=O
InChIInChI=1S/C20H25N5O3/c1-20(11-10-14-6-3-2-4-7-14)18(27)25(19(28)23-20)24-17(26)13-22-16-9-5-8-15(16)12-21/h2-4,6-7,15-16,22H,5,8-11,13H2,1H3,(H,23,28)(H,24,26)/t15-,16-,20+/m0/s1
InChIKeyHDFGDDQZNCSJPV-TWOQFEAHSA-N
XLogP1.24
TPSA114.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[(1S,2R)-2-cyanocyclopentyl]amino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
CID 136513403
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-piperidin-1-ylacetamide
CID 18087188
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 51724563
1-[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 40880368
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 31435198
[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 8580961
[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate
CID 8808234
N-[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 41292024
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 25498107
N-[1-[2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 16580785
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 17423661
[2-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl] 3-phenylpropanoate
CID 9016403

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2R)-2-cyanocyclopentyl]amino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The IUPAC name of 2-[[(1S,2R)-2-cyanocyclopentyl]amino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (CID 124886577) is 2-[[(1S,2R)-2-cyanocyclopentyl]amino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for 2-[[(1S,2R)-2-cyanocyclopentyl]amino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for 2-[[(1S,2R)-2-cyanocyclopentyl]amino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN[C@H]2CCC[C@H]2C#N)C1=O.
What is the InChIKey of 2-[[(1S,2R)-2-cyanocyclopentyl]amino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The InChIKey is HDFGDDQZNCSJPV-TWOQFEAHSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-20(11-10-14-6-3-2-4-7-14)18(27)25(19(28)23-20)24-17(26)13-22-16-9-5-8-15(16)12-21/h2-4,6-7,15-16,22H,5,8-11,13H2,1H3,(H,23,28)(H,24,26)/t15-,16-,20+/m0/s1.
What are the key properties of 2-[[(1S,2R)-2-cyanocyclopentyl]amino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
2-[[(1S,2R)-2-cyanocyclopentyl]amino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide has a molecular weight of 383.45 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2R)-2-cyanocyclopentyl]amino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 124886577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).