3-(1H-indol-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide

C21H20N4O3 — CID 51949276

IUPAC3-(1H-indol-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
SMILESC[C@@]1(c2cccc(NC(=O)CCc3c[nH]c4ccccc34)c2)NC(=O)NC1=O
InChIInChI=1S/C21H20N4O3/c1-21(19(27)24-20(28)25-21)14-5-4-6-15(11-14)23-18(26)10-9-13-12-22-17-8-3-2-7-16(13)17/h2-8,11-12,22H,9-10H2,1H3,(H,23,26)(H2,24,25,27,28)/t21-/m0/s1
InChIKeySGRWBEPOBUBOLD-NRFANRHFSA-N
MW376.42 g/mol
LogP2.79
Rot. Bonds5

About 3-(1H-indol-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide

3-(1H-indol-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide (PubChem CID 51949276) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
PubChem CID51949276
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name3-(1H-indol-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
SMILESC[C@@]1(c2cccc(NC(=O)CCc3c[nH]c4ccccc34)c2)NC(=O)NC1=O
InChIInChI=1S/C21H20N4O3/c1-21(19(27)24-20(28)25-21)14-5-4-6-15(11-14)23-18(26)10-9-13-12-22-17-8-3-2-7-16(13)17/h2-8,11-12,22H,9-10H2,1H3,(H,23,26)(H2,24,25,27,28)/t21-/m0/s1
InChIKeySGRWBEPOBUBOLD-NRFANRHFSA-N
XLogP2.79
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide
CID 7732917
3-(1H-indol-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide
CID 43073730
5-(4-bromophenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pentanamide
CID 60513548
2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride
CID 119728481
3-(1H-indol-3-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 78915659
3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 2129206
N-(3-cyanophenyl)-3-(1H-indol-3-yl)propanamide
CID 2522746
3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide
CID 26580490
N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 51949326
N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
CID 7900117
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
CID 51949351
N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 27906978

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide (CID 51949276) is 3-(1H-indol-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide is C[C@@]1(c2cccc(NC(=O)CCc3c[nH]c4ccccc34)c2)NC(=O)NC1=O.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide?
The InChIKey is SGRWBEPOBUBOLD-NRFANRHFSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-21(19(27)24-20(28)25-21)14-5-4-6-15(11-14)23-18(26)10-9-13-12-22-17-8-3-2-7-16(13)17/h2-8,11-12,22H,9-10H2,1H3,(H,23,26)(H2,24,25,27,28)/t21-/m0/s1.
What are the key properties of 3-(1H-indol-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide?
3-(1H-indol-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide has a molecular weight of 376.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide is sourced from PubChem (CID 51949276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).