3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide

C24H26N4O4 — CID 75357106

IUPAC3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)CCC3NC(=O)N(Cc4ccccc4)C3=O)c2c1
InChIInChI=1S/C24H26N4O4/c1-32-18-7-8-20-19(13-18)17(14-26-20)11-12-25-22(29)10-9-21-23(30)28(24(31)27-21)15-16-5-3-2-4-6-16/h2-8,13-14,21,26H,9-12,15H2,1H3,(H,25,29)(H,27,31)
InChIKeyWCVRVQMWNNQTQY-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.74
Rot. Bonds9

About 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide

3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide (PubChem CID 75357106) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
PubChem CID75357106
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)CCC3NC(=O)N(Cc4ccccc4)C3=O)c2c1
InChIInChI=1S/C24H26N4O4/c1-32-18-7-8-20-19(13-18)17(14-26-20)11-12-25-22(29)10-9-21-23(30)28(24(31)27-21)15-16-5-3-2-4-6-16/h2-8,13-14,21,26H,9-12,15H2,1H3,(H,25,29)(H,27,31)
InChIKeyWCVRVQMWNNQTQY-UHFFFAOYSA-N
XLogP2.74
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-heptyl-3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 98399429
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
CID 125434004
3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-prop-2-enylpropanamide
CID 51808572
2-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 122169381
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 124906480
N-[(3-methoxyphenyl)methyl]-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 73258308
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanamide
CID 91821318
3-cyclopentyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 18947319
3-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 51833583
3-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]propanamide
CID 29134314
N-[2-(4-hydroxyphenyl)ethyl]-3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 91638035
3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-phenylpropyl)propanamide
CID 51842013

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide (CID 75357106) is 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide is COc1ccc2[nH]cc(CCNC(=O)CCC3NC(=O)N(Cc4ccccc4)C3=O)c2c1.
What is the InChIKey of 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide?
The InChIKey is WCVRVQMWNNQTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-32-18-7-8-20-19(13-18)17(14-26-20)11-12-25-22(29)10-9-21-23(30)28(24(31)27-21)15-16-5-3-2-4-6-16/h2-8,13-14,21,26H,9-12,15H2,1H3,(H,25,29)(H,27,31).
What are the key properties of 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide?
3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide has a molecular weight of 434.50 g/mol, XLogP of 2.74, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 75357106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).