N-(cycloheptylmethyl)-4-methyl-1-propylindole-3-carboxamide

C21H30N2O — CID 58011311

IUPACN-(cycloheptylmethyl)-4-methyl-1-propylindole-3-carboxamide
SMILESCCCn1cc(C(=O)NCC2CCCCCC2)c2c(C)cccc21
InChIInChI=1S/C21H30N2O/c1-3-13-23-15-18(20-16(2)9-8-12-19(20)23)21(24)22-14-17-10-6-4-5-7-11-17/h8-9,12,15,17H,3-7,10-11,13-14H2,1-2H3,(H,22,24)
InChIKeyNISYFUMDTSRAAS-UHFFFAOYSA-N
MW326.48 g/mol
LogP5.06
Rot. Bonds5

About N-(cycloheptylmethyl)-4-methyl-1-propylindole-3-carboxamide

N-(cycloheptylmethyl)-4-methyl-1-propylindole-3-carboxamide (PubChem CID 58011311) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is N-(cycloheptylmethyl)-4-methyl-1-propylindole-3-carboxamide.

Molecular Properties

Compound NameN-(cycloheptylmethyl)-4-methyl-1-propylindole-3-carboxamide
PubChem CID58011311
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC NameN-(cycloheptylmethyl)-4-methyl-1-propylindole-3-carboxamide
SMILESCCCn1cc(C(=O)NCC2CCCCCC2)c2c(C)cccc21
InChIInChI=1S/C21H30N2O/c1-3-13-23-15-18(20-16(2)9-8-12-19(20)23)21(24)22-14-17-10-6-4-5-7-11-17/h8-9,12,15,17H,3-7,10-11,13-14H2,1-2H3,(H,22,24)
InChIKeyNISYFUMDTSRAAS-UHFFFAOYSA-N
XLogP5.06
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide
CID 58011456
4-bromo-N-(cycloheptylmethyl)-1-[2-(oxetan-3-yl)ethyl]indole-3-carboxamide
CID 71077090
4-bromo-N-(cycloheptylmethyl)-1-(oxetan-3-ylmethyl)indole-3-carboxamide
CID 71077064
4,6-dichloro-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide
CID 58011331
N-(1-bicyclo[2.2.2]octanylmethyl)-1-ethyl-4-methylindole-3-carboxamide
CID 58011359
N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide
CID 82826551
4-bromo-N-(2-cycloheptylethyl)-1-(2-hydroxyethyl)indole-3-carboxamide
CID 58011335
CID 89144935
CID 89144935
N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-hydroxyethyl)-4-(trifluoromethyl)indole-3-carboxamide
CID 145106803
N-(cyclohexylmethyl)-2,3-dihydroxybenzamide
CID 56679854
N-(1-bicyclo[2.2.2]octanylmethyl)-1-propyl-4-(trifluoromethyl)indole-3-carboxamide
CID 58011288
4-bromo-N-(2-cycloheptylethyl)-1-[2-(oxetan-3-yl)ethyl]indole-3-carboxamide
CID 71077172

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylmethyl)-4-methyl-1-propylindole-3-carboxamide?
The IUPAC name of N-(cycloheptylmethyl)-4-methyl-1-propylindole-3-carboxamide (CID 58011311) is N-(cycloheptylmethyl)-4-methyl-1-propylindole-3-carboxamide.
What is the SMILES notation for N-(cycloheptylmethyl)-4-methyl-1-propylindole-3-carboxamide?
The canonical SMILES for N-(cycloheptylmethyl)-4-methyl-1-propylindole-3-carboxamide is CCCn1cc(C(=O)NCC2CCCCCC2)c2c(C)cccc21.
What is the InChIKey of N-(cycloheptylmethyl)-4-methyl-1-propylindole-3-carboxamide?
The InChIKey is NISYFUMDTSRAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-3-13-23-15-18(20-16(2)9-8-12-19(20)23)21(24)22-14-17-10-6-4-5-7-11-17/h8-9,12,15,17H,3-7,10-11,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-(cycloheptylmethyl)-4-methyl-1-propylindole-3-carboxamide?
N-(cycloheptylmethyl)-4-methyl-1-propylindole-3-carboxamide has a molecular weight of 326.48 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylmethyl)-4-methyl-1-propylindole-3-carboxamide is sourced from PubChem (CID 58011311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).