2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide

C24H30N4O2 — CID 14180980

IUPAC2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide
SMILESCN(C)CCc1c[nH]c2ccc(CCNC(=O)Cc3ccc(CC(N)=O)cc3)cc12
InChIInChI=1S/C24H30N4O2/c1-28(2)12-10-20-16-27-22-8-7-19(13-21(20)22)9-11-26-24(30)15-18-5-3-17(4-6-18)14-23(25)29/h3-8,13,16,27H,9-12,14-15H2,1-2H3,(H2,25,29)(H,26,30)
InChIKeyJGOMOMIRTSEGQN-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.20
Rot. Bonds10

About 2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide

2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide (PubChem CID 14180980) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide
PubChem CID14180980
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide
SMILESCN(C)CCc1c[nH]c2ccc(CCNC(=O)Cc3ccc(CC(N)=O)cc3)cc12
InChIInChI=1S/C24H30N4O2/c1-28(2)12-10-20-16-27-22-8-7-19(13-21(20)22)9-11-26-24(30)15-18-5-3-17(4-6-18)14-23(25)29/h3-8,13,16,27H,9-12,14-15H2,1-2H3,(H2,25,29)(H,26,30)
InChIKeyJGOMOMIRTSEGQN-UHFFFAOYSA-N
XLogP2.20
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(acetamidomethyl)phenyl]-N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide
CID 14180996
N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide
CID 14181006
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
2-(4-methoxyphenyl)-N-[2-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide;oxalic acid
CID 14181017
2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 18794242
N-[(2R)-1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]butan-2-yl]acetamide
CID 70821613
3-[2-(dimethylamino)ethyl]-1H-indol-5-amine
CID 11820211
3-(2-aminoethyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]-1H-indole-5-carboxamide
CID 14326601
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]thiourea
CID 19040763
butyl N-[2-[5-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl]carbamate
CID 139908727
2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17339304
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide?
The IUPAC name of 2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide (CID 14180980) is 2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide?
The canonical SMILES for 2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide is CN(C)CCc1c[nH]c2ccc(CCNC(=O)Cc3ccc(CC(N)=O)cc3)cc12.
What is the InChIKey of 2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide?
The InChIKey is JGOMOMIRTSEGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-28(2)12-10-20-16-27-22-8-7-19(13-21(20)22)9-11-26-24(30)15-18-5-3-17(4-6-18)14-23(25)29/h3-8,13,16,27H,9-12,14-15H2,1-2H3,(H2,25,29)(H,26,30).
What are the key properties of 2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide?
2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide has a molecular weight of 406.53 g/mol, XLogP of 2.20, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide is sourced from PubChem (CID 14180980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).