N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-4-carboxamide

C17H23N3O — CID 105420080

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-4-carboxamide
SMILESCN(CC1(N(C)C)CCC1)C(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C17H23N3O/c1-19(2)17(9-5-10-17)12-20(3)16(21)14-6-4-7-15-13(14)8-11-18-15/h4,6-8,11,18H,5,9-10,12H2,1-3H3
InChIKeyXMCWYWSVLIPLHN-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.72
Rot. Bonds4

About N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-4-carboxamide

N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-4-carboxamide (PubChem CID 105420080) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-4-carboxamide
PubChem CID105420080
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-4-carboxamide
SMILESCN(CC1(N(C)C)CCC1)C(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C17H23N3O/c1-19(2)17(9-5-10-17)12-20(3)16(21)14-6-4-7-15-13(14)8-11-18-15/h4,6-8,11,18H,5,9-10,12H2,1-3H3
InChIKeyXMCWYWSVLIPLHN-UHFFFAOYSA-N
XLogP2.72
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-3-carboxamide
CID 105420068
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1H-indole-4-carboxamide
CID 114951440
2-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]benzoic acid
CID 105414289
N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1H-indole-4-carboxamide
CID 60959512
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 105418504
N-[(1-ethylcyclobutyl)methyl]-1H-indole-4-carboxamide
CID 103741634
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-4-carboxamide
CID 64512455
N,N-bis(cyanomethyl)-1H-indole-4-carboxamide
CID 43582545
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxy-N-methylbenzamide
CID 105418511
N-[1-(hydroxymethyl)cyclobutyl]-1H-indole-4-carboxamide
CID 115878331
2,3-dihydroxy-N-(1H-indol-4-ylmethyl)-N-methylbenzamide
CID 122149826
N-cyclobutyl-N-(3-hydroxypropyl)-1H-indole-4-carboxamide
CID 102866453

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-4-carboxamide?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-4-carboxamide (CID 105420080) is N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-4-carboxamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-4-carboxamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-4-carboxamide is CN(CC1(N(C)C)CCC1)C(=O)c1cccc2[nH]ccc12.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-4-carboxamide?
The InChIKey is XMCWYWSVLIPLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-19(2)17(9-5-10-17)12-20(3)16(21)14-6-4-7-15-13(14)8-11-18-15/h4,6-8,11,18H,5,9-10,12H2,1-3H3.
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-4-carboxamide?
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-4-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-4-carboxamide is sourced from PubChem (CID 105420080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).