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

C26H31N5O3 — CID 10322070

IUPACN-[3-[[1-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CC2NC(=O)N(CCc3ccc4[nH]cc(CCN(C)C)c4c3)C2=O)c1
InChIInChI=1S/C26H31N5O3/c1-17(32)28-21-6-4-5-19(13-21)15-24-25(33)31(26(34)29-24)12-9-18-7-8-23-22(14-18)20(16-27-23)10-11-30(2)3/h4-8,13-14,16,24,27H,9-12,15H2,1-3H3,(H,28,32)(H,29,34)
InChIKeyBDHLPQSDHKSHBU-UHFFFAOYSA-N
MW461.57 g/mol
LogP2.94
Rot. Bonds9

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

N-[3-[[1-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide (PubChem CID 10322070) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is N-[3-[[1-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[1-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide
PubChem CID10322070
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC NameN-[3-[[1-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CC2NC(=O)N(CCc3ccc4[nH]cc(CCN(C)C)c4c3)C2=O)c1
InChIInChI=1S/C26H31N5O3/c1-17(32)28-21-6-4-5-19(13-21)15-24-25(33)31(26(34)29-24)12-9-18-7-8-23-22(14-18)20(16-27-23)10-11-30(2)3/h4-8,13-14,16,24,27H,9-12,15H2,1-3H3,(H,28,32)(H,29,34)
InChIKeyBDHLPQSDHKSHBU-UHFFFAOYSA-N
XLogP2.94
TPSA97.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 52.94
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-[3-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide
CID 10094407
5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-3-[(4-phenoxyphenyl)methyl]imidazolidine-2,4-dione
CID 10412986
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
N-(3-acetamidophenyl)-3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide
CID 118985887
5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-methylimidazolidine-2,4-dione
CID 10469232
(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrofluoride
CID 71478513
2-[4-(acetamidomethyl)phenyl]-N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide
CID 14180996
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
N-[(2R)-1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]butan-2-yl]acetamide
CID 70821613
2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide
CID 14180980
N-benzyl-2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91638714

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[1-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide (CID 10322070) is N-[3-[[1-[2-[3-[2-(dimethylamino)ethyl]-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-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[1-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide is CC(=O)Nc1cccc(CC2NC(=O)N(CCc3ccc4[nH]cc(CCN(C)C)c4c3)C2=O)c1.
What is the InChIKey of N-[3-[[1-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide?
The InChIKey is BDHLPQSDHKSHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-17(32)28-21-6-4-5-19(13-21)15-24-25(33)31(26(34)29-24)12-9-18-7-8-23-22(14-18)20(16-27-23)10-11-30(2)3/h4-8,13-14,16,24,27H,9-12,15H2,1-3H3,(H,28,32)(H,29,34).
What are the key properties of N-[3-[[1-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide?
N-[3-[[1-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide has a molecular weight of 461.57 g/mol, XLogP of 2.94, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 10322070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).