2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylcyclohexyl)propanamide

C22H28N4O3 — CID 47003746

IUPAC2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylcyclohexyl)propanamide
SMILESCC1CCCCC1NC(=O)C(C)N1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C22H28N4O3/c1-13-7-3-5-9-17(13)24-20(27)14(2)26-21(28)19(25-22(26)29)11-15-12-23-18-10-6-4-8-16(15)18/h4,6,8,10,12-14,17,19,23H,3,5,7,9,11H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyWUZLDZBOVZKGBY-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.71
Rot. Bonds5

About 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylcyclohexyl)propanamide

2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylcyclohexyl)propanamide (PubChem CID 47003746) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylcyclohexyl)propanamide
PubChem CID47003746
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylcyclohexyl)propanamide
SMILESCC1CCCCC1NC(=O)C(C)N1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C22H28N4O3/c1-13-7-3-5-9-17(13)24-20(27)14(2)26-21(28)19(25-22(26)29)11-15-12-23-18-10-6-4-8-16(15)18/h4,6,8,10,12-14,17,19,23H,3,5,7,9,11H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyWUZLDZBOVZKGBY-UHFFFAOYSA-N
XLogP2.71
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.71
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

(2S)-N-(3-chlorophenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]propanamide
CID 7917393
N-cycloheptyl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51556304
benzyl N-[(2S)-3-(1H-indol-3-yl)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]carbamate
CID 126008458
benzyl N-[(2S)-3-(1H-indol-3-yl)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]carbamate
CID 126008452
[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 11919601
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 47003741
2-(1H-indol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]-2-oxoacetamide
CID 7117325
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7169328
(3S,6S)-3,6-bis(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
CID 132546652
(5S)-5-(1H-indol-3-ylmethyl)-3-[(1R)-1-phenylethyl]-2-sulfanylideneimidazolidin-4-one
CID 851635
N-[(2R)-butan-2-yl]-N-[(2S)-butan-2-yl]-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51556366
N,N-di(butan-2-yl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 47009783

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylcyclohexyl)propanamide?
The IUPAC name of 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylcyclohexyl)propanamide (CID 47003746) is 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylcyclohexyl)propanamide.
What is the SMILES notation for 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylcyclohexyl)propanamide?
The canonical SMILES for 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylcyclohexyl)propanamide is CC1CCCCC1NC(=O)C(C)N1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O.
What is the InChIKey of 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylcyclohexyl)propanamide?
The InChIKey is WUZLDZBOVZKGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-13-7-3-5-9-17(13)24-20(27)14(2)26-21(28)19(25-22(26)29)11-15-12-23-18-10-6-4-8-16(15)18/h4,6,8,10,12-14,17,19,23H,3,5,7,9,11H2,1-2H3,(H,24,27)(H,25,29).
What are the key properties of 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylcyclohexyl)propanamide?
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylcyclohexyl)propanamide has a molecular weight of 396.49 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylcyclohexyl)propanamide is sourced from PubChem (CID 47003746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).