3-(1-benzylindol-3-yl)-N-cycloheptylpropanamide

C25H30N2O — CID 4616426

IUPAC3-(1-benzylindol-3-yl)-N-cycloheptylpropanamide
SMILESO=C(CCc1cn(Cc2ccccc2)c2ccccc12)NC1CCCCCC1
InChIInChI=1S/C25H30N2O/c28-25(26-22-12-6-1-2-7-13-22)17-16-21-19-27(18-20-10-4-3-5-11-20)24-15-9-8-14-23(21)24/h3-5,8-11,14-15,19,22H,1-2,6-7,12-13,16-18H2,(H,26,28)
InChIKeyZRJMEVHKKUZRPS-UHFFFAOYSA-N
MW374.53 g/mol
LogP5.46
Rot. Bonds6

About 3-(1-benzylindol-3-yl)-N-cycloheptylpropanamide

3-(1-benzylindol-3-yl)-N-cycloheptylpropanamide (PubChem CID 4616426) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 3-(1-benzylindol-3-yl)-N-cycloheptylpropanamide.

Molecular Properties

Compound Name3-(1-benzylindol-3-yl)-N-cycloheptylpropanamide
PubChem CID4616426
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name3-(1-benzylindol-3-yl)-N-cycloheptylpropanamide
SMILESO=C(CCc1cn(Cc2ccccc2)c2ccccc12)NC1CCCCCC1
InChIInChI=1S/C25H30N2O/c28-25(26-22-12-6-1-2-7-13-22)17-16-21-19-27(18-20-10-4-3-5-11-20)24-15-9-8-14-23(21)24/h3-5,8-11,14-15,19,22H,1-2,6-7,12-13,16-18H2,(H,26,28)
InChIKeyZRJMEVHKKUZRPS-UHFFFAOYSA-N
XLogP5.46
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide
CID 20900075
1-benzyl-N-cyclopentylindole-3-carboxamide
CID 26721989
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-cyclopropylacetamide
CID 41108991
N-cycloheptyl-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide
CID 41109175
3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide
CID 4616418
N-(2-methylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900033
3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 4247196
2-(1-benzylindol-3-yl)ethanol
CID 13134935
2-(1-benzylindol-3-yl)-N-methylacetamide
CID 13010553
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
3-(1-benzylindol-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 4616420
N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine
CID 124895563

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylindol-3-yl)-N-cycloheptylpropanamide?
The IUPAC name of 3-(1-benzylindol-3-yl)-N-cycloheptylpropanamide (CID 4616426) is 3-(1-benzylindol-3-yl)-N-cycloheptylpropanamide.
What is the SMILES notation for 3-(1-benzylindol-3-yl)-N-cycloheptylpropanamide?
The canonical SMILES for 3-(1-benzylindol-3-yl)-N-cycloheptylpropanamide is O=C(CCc1cn(Cc2ccccc2)c2ccccc12)NC1CCCCCC1.
What is the InChIKey of 3-(1-benzylindol-3-yl)-N-cycloheptylpropanamide?
The InChIKey is ZRJMEVHKKUZRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c28-25(26-22-12-6-1-2-7-13-22)17-16-21-19-27(18-20-10-4-3-5-11-20)24-15-9-8-14-23(21)24/h3-5,8-11,14-15,19,22H,1-2,6-7,12-13,16-18H2,(H,26,28).
What are the key properties of 3-(1-benzylindol-3-yl)-N-cycloheptylpropanamide?
3-(1-benzylindol-3-yl)-N-cycloheptylpropanamide has a molecular weight of 374.53 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylindol-3-yl)-N-cycloheptylpropanamide is sourced from PubChem (CID 4616426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).