4-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]-3-ethylbenzene-1,2-dicarboxamide

C24H28N4O2 — CID 67610893

IUPAC4-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]-3-ethylbenzene-1,2-dicarboxamide
SMILESCCc1c(-c2ccc3[nH]cc(C4CC(N(C)C)C4)c3c2)ccc(C(N)=O)c1C(N)=O
InChIInChI=1S/C24H28N4O2/c1-4-16-17(6-7-18(23(25)29)22(16)24(26)30)13-5-8-21-19(11-13)20(12-27-21)14-9-15(10-14)28(2)3/h5-8,11-12,14-15,27H,4,9-10H2,1-3H3,(H2,25,29)(H2,26,30)
InChIKeyHRHIQKISVBKJEP-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.40
Rot. Bonds6

About 4-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]-3-ethylbenzene-1,2-dicarboxamide

4-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]-3-ethylbenzene-1,2-dicarboxamide (PubChem CID 67610893) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]-3-ethylbenzene-1,2-dicarboxamide.

Molecular Properties

Compound Name4-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]-3-ethylbenzene-1,2-dicarboxamide
PubChem CID67610893
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name4-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]-3-ethylbenzene-1,2-dicarboxamide
SMILESCCc1c(-c2ccc3[nH]cc(C4CC(N(C)C)C4)c3c2)ccc(C(N)=O)c1C(N)=O
InChIInChI=1S/C24H28N4O2/c1-4-16-17(6-7-18(23(25)29)22(16)24(26)30)13-5-8-21-19(11-13)20(12-27-21)14-9-15(10-14)28(2)3/h5-8,11-12,14-15,27H,4,9-10H2,1-3H3,(H2,25,29)(H2,26,30)
InChIKeyHRHIQKISVBKJEP-UHFFFAOYSA-N
XLogP3.40
TPSA105.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]ethyl]benzene-1,2-dicarboxamide
CID 139752018
3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxylic acid
CID 18691549
4-[[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 18366015
N-benzyl-3-[3-(dimethylamino)cyclobutyl]-1H-indole-5-carboxamide
CID 10617665
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
2-ethyl-3-(1H-indol-6-yl)benzamide
CID 68637689
tert-butyl N-[(1S,3S)-3-(5-amino-1H-indol-3-yl)cyclohexyl]-N-methylcarbamate
CID 57385546
3-(1-methylpiperidin-4-yl)-1H-indole-5-carboxamide
CID 19987271
4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamide
CID 21460821
4-[3-(1,1-dioxothian-4-yl)-1H-indol-5-yl]-N,N-dimethylaniline
CID 141221099
N-ethyl-N-[[4-[3-(1-ethylsulfonylpiperidin-4-yl)-1H-indol-5-yl]phenyl]methyl]ethanamine
CID 141164179

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]-3-ethylbenzene-1,2-dicarboxamide?
The IUPAC name of 4-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]-3-ethylbenzene-1,2-dicarboxamide (CID 67610893) is 4-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]-3-ethylbenzene-1,2-dicarboxamide.
What is the SMILES notation for 4-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]-3-ethylbenzene-1,2-dicarboxamide?
The canonical SMILES for 4-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]-3-ethylbenzene-1,2-dicarboxamide is CCc1c(-c2ccc3[nH]cc(C4CC(N(C)C)C4)c3c2)ccc(C(N)=O)c1C(N)=O.
What is the InChIKey of 4-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]-3-ethylbenzene-1,2-dicarboxamide?
The InChIKey is HRHIQKISVBKJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-4-16-17(6-7-18(23(25)29)22(16)24(26)30)13-5-8-21-19(11-13)20(12-27-21)14-9-15(10-14)28(2)3/h5-8,11-12,14-15,27H,4,9-10H2,1-3H3,(H2,25,29)(H2,26,30).
What are the key properties of 4-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]-3-ethylbenzene-1,2-dicarboxamide?
4-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]-3-ethylbenzene-1,2-dicarboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(dimethylamino)cyclobutyl]-1H-indol-5-yl]-3-ethylbenzene-1,2-dicarboxamide is sourced from PubChem (CID 67610893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).