N-[2-(1H-indol-3-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

C24H26N4O3 — CID 8893036

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESC[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C24H26N4O3/c1-24(13-11-17-7-3-2-4-8-17)22(30)28(23(31)27-24)16-21(29)25-14-12-18-15-26-20-10-6-5-9-19(18)20/h2-10,15,26H,11-14,16H2,1H3,(H,25,29)(H,27,31)/t24-/m1/s1
InChIKeyVVJKEDCKCAWSCO-XMMPIXPASA-N
MW418.50 g/mol
LogP2.77
Rot. Bonds8

About N-[2-(1H-indol-3-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

N-[2-(1H-indol-3-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (PubChem CID 8893036) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
PubChem CID8893036
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESC[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C24H26N4O3/c1-24(13-11-17-7-3-2-4-8-17)22(30)28(23(31)27-24)16-21(29)25-14-12-18-15-26-20-10-6-5-9-19(18)20/h2-10,15,26H,11-14,16H2,1H3,(H,25,29)(H,27,31)/t24-/m1/s1
InChIKeyVVJKEDCKCAWSCO-XMMPIXPASA-N
XLogP2.77
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-3-yl)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 31435242
4-(1H-indol-3-yl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
CID 55438287
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 8507184
N-[(4-methoxyphenyl)methyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2482252
2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 41130447
2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 17474057
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
N-benzyl-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180750
2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7639797
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 3473430
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 8506914
N-benzyl-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51138882

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (CID 8893036) is N-[2-(1H-indol-3-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C1=O.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The InChIKey is VVJKEDCKCAWSCO-XMMPIXPASA-N. The full InChI is InChI=1S/C24H26N4O3/c1-24(13-11-17-7-3-2-4-8-17)22(30)28(23(31)27-24)16-21(29)25-14-12-18-15-26-20-10-6-5-9-19(18)20/h2-10,15,26H,11-14,16H2,1H3,(H,25,29)(H,27,31)/t24-/m1/s1.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
N-[2-(1H-indol-3-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide has a molecular weight of 418.50 g/mol, XLogP of 2.77, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 8893036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).