N-[3-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide

C24H27N5O3 — CID 10094407

IUPACN-[3-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CC2NC(=O)N(CCc3ccc4[nH]cc(CCN)c4c3)C2=O)c1
InChIInChI=1S/C24H27N5O3/c1-15(30)27-19-4-2-3-17(11-19)13-22-23(31)29(24(32)28-22)10-8-16-5-6-21-20(12-16)18(7-9-25)14-26-21/h2-6,11-12,14,22,26H,7-10,13,25H2,1H3,(H,27,30)(H,28,32)
InChIKeyKFYTUPNCMHZUSF-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.33
Rot. Bonds8

About N-[3-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide

N-[3-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide (PubChem CID 10094407) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[3-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide
PubChem CID10094407
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-[3-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CC2NC(=O)N(CCc3ccc4[nH]cc(CCN)c4c3)C2=O)c1
InChIInChI=1S/C24H27N5O3/c1-15(30)27-19-4-2-3-17(11-19)13-22-23(31)29(24(32)28-22)10-8-16-5-6-21-20(12-16)18(7-9-25)14-26-21/h2-6,11-12,14,22,26H,7-10,13,25H2,1H3,(H,27,30)(H,28,32)
InChIKeyKFYTUPNCMHZUSF-UHFFFAOYSA-N
XLogP2.33
TPSA120.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[1-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide
CID 10322070
methyl 4-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]benzoate
CID 10478047
4-[[4-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide;but-2-enedioic acid
CID 70382763
5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-methylimidazolidine-2,4-dione
CID 10469232
N-(3-acetamidophenyl)-3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide
CID 118985887
2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine
CID 22419950
N-benzyl-2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91638714
5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-3-[(4-phenoxyphenyl)methyl]imidazolidine-2,4-dione
CID 10412986
4-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-5-methylimidazolidin-2-one
CID 56989453
5-[(4-hydrazinylphenyl)methyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
CID 10019154
N-(3-fluorophenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51864114
N-(1,3-benzodioxol-5-yl)-3-[(4R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 51837234

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide (CID 10094407) is N-[3-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide is CC(=O)Nc1cccc(CC2NC(=O)N(CCc3ccc4[nH]cc(CCN)c4c3)C2=O)c1.
What is the InChIKey of N-[3-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide?
The InChIKey is KFYTUPNCMHZUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-15(30)27-19-4-2-3-17(11-19)13-22-23(31)29(24(32)28-22)10-8-16-5-6-21-20(12-16)18(7-9-25)14-26-21/h2-6,11-12,14,22,26H,7-10,13,25H2,1H3,(H,27,30)(H,28,32).
What are the key properties of N-[3-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide?
N-[3-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide has a molecular weight of 433.51 g/mol, XLogP of 2.33, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 10094407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).