N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide

C23H31N5O3 — CID 124673763

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCCN1CCC[C@@H]1CNC(=O)CC[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C23H31N5O3/c1-2-27-12-5-6-17(27)15-25-21(29)10-9-20-22(30)28(23(31)26-20)13-11-16-14-24-19-8-4-3-7-18(16)19/h3-4,7-8,14,17,20,24H,2,5-6,9-13,15H2,1H3,(H,25,29)(H,26,31)/t17-,20-/m1/s1
InChIKeyYLYGPNWDUGLILD-YLJYHZDGSA-N
MW425.53 g/mol
LogP2.01
Rot. Bonds9

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 124673763) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID124673763
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCCN1CCC[C@@H]1CNC(=O)CC[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C23H31N5O3/c1-2-27-12-5-6-17(27)15-25-21(29)10-9-20-22(30)28(23(31)26-20)13-11-16-14-24-19-8-4-3-7-18(16)19/h3-4,7-8,14,17,20,24H,2,5-6,9-13,15H2,1H3,(H,25,29)(H,26,31)/t17-,20-/m1/s1
InChIKeyYLYGPNWDUGLILD-YLJYHZDGSA-N
XLogP2.01
TPSA97.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide 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-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124673769
3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propanamide
CID 124847936
N-[(2R)-butan-2-yl]-3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 97489172
3-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide
CID 73257190
3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-phenylpropyl)propanamide
CID 51842013
3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide
CID 124673723
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide
CID 124850987
methyl 2-[1-[3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanoyl]piperidin-4-yl]acetate
CID 75488747
2-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)acetamide
CID 124863995
N-cyclopentyl-2-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124873371
N-benzyl-2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91638714
2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 91640515

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide (CID 124673763) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide is CCN1CCC[C@@H]1CNC(=O)CC[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is YLYGPNWDUGLILD-YLJYHZDGSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-2-27-12-5-6-17(27)15-25-21(29)10-9-20-22(30)28(23(31)26-20)13-11-16-14-24-19-8-4-3-7-18(16)19/h3-4,7-8,14,17,20,24H,2,5-6,9-13,15H2,1H3,(H,25,29)(H,26,31)/t17-,20-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 425.53 g/mol, XLogP of 2.01, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 124673763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).