3-[2-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]ethyl]benzene-1,2-dicarboxamide

C24H28N4O2 — CID 139752018

IUPAC3-[2-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]ethyl]benzene-1,2-dicarboxamide
SMILESCN(C)C1CC(c2c[nH]c3ccc(CCc4cccc(C(N)=O)c4C(N)=O)cc23)C1
InChIInChI=1S/C24H28N4O2/c1-28(2)17-11-16(12-17)20-13-27-21-9-7-14(10-19(20)21)6-8-15-4-3-5-18(23(25)29)22(15)24(26)30/h3-5,7,9-10,13,16-17,27H,6,8,11-12H2,1-2H3,(H2,25,29)(H2,26,30)
InChIKeyPXYPRGHUUXBSSF-UHFFFAOYSA-N
MW404.51 g/mol
LogP2.96
Rot. Bonds7

About 3-[2-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]ethyl]benzene-1,2-dicarboxamide

3-[2-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]ethyl]benzene-1,2-dicarboxamide (PubChem CID 139752018) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-[2-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]ethyl]benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name3-[2-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]ethyl]benzene-1,2-dicarboxamide
PubChem CID139752018
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name3-[2-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]ethyl]benzene-1,2-dicarboxamide
SMILESCN(C)C1CC(c2c[nH]c3ccc(CCc4cccc(C(N)=O)c4C(N)=O)cc23)C1
InChIInChI=1S/C24H28N4O2/c1-28(2)17-11-16(12-17)20-13-27-21-9-7-14(10-19(20)21)6-8-15-4-3-5-18(23(25)29)22(15)24(26)30/h3-5,7,9-10,13,16-17,27H,6,8,11-12H2,1-2H3,(H2,25,29)(H2,26,30)
InChIKeyPXYPRGHUUXBSSF-UHFFFAOYSA-N
XLogP2.96
TPSA105.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]-3-ethylbenzene-1,2-dicarboxamide
CID 67610893
3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxylic acid
CID 18691549
N-benzyl-3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxamide
CID 10617665
4-[[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 18366015
N,N-dimethyl-3-[5-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-indol-3-yl]cyclobutan-1-amine
CID 10852406
N,N-dimethyl-3-[5-(1,3-oxazol-5-ylmethyl)-1H-indol-3-yl]cyclobutan-1-amine
CID 67803223
benzyl N-[3-[5-[2-[2-(dimethylamino)ethylideneamino]-2-oxoethyl]-1H-indol-3-yl]cyclobutyl]carbamate
CID 70269309
2-[3-(2-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide
CID 91139040
tert-butyl N-[(1S,3S)-3-(5-amino-1H-indol-3-yl)cyclohexyl]-N-methylcarbamate
CID 57385546
1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentan-3-one
CID 19971007
3-(2-methylsulfonylethyl)benzene-1,2-dicarboxamide
CID 175689672
3-(1-methylpiperidin-4-yl)-1H-indole-5-carboxamide
CID 19987271

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]ethyl]benzene-1,2-dicarboxamide?
The IUPAC name of 3-[2-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]ethyl]benzene-1,2-dicarboxamide (CID 139752018) is 3-[2-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]ethyl]benzene-1,2-dicarboxamide.
What is the SMILES notation for 3-[2-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]ethyl]benzene-1,2-dicarboxamide?
The canonical SMILES for 3-[2-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]ethyl]benzene-1,2-dicarboxamide is CN(C)C1CC(c2c[nH]c3ccc(CCc4cccc(C(N)=O)c4C(N)=O)cc23)C1.
What is the InChIKey of 3-[2-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]ethyl]benzene-1,2-dicarboxamide?
The InChIKey is PXYPRGHUUXBSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-28(2)17-11-16(12-17)20-13-27-21-9-7-14(10-19(20)21)6-8-15-4-3-5-18(23(25)29)22(15)24(26)30/h3-5,7,9-10,13,16-17,27H,6,8,11-12H2,1-2H3,(H2,25,29)(H2,26,30).
What are the key properties of 3-[2-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]ethyl]benzene-1,2-dicarboxamide?
3-[2-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]ethyl]benzene-1,2-dicarboxamide has a molecular weight of 404.51 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]ethyl]benzene-1,2-dicarboxamide is sourced from PubChem (CID 139752018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).