N-(2-methylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide

C26H32N2O — CID 20900033

IUPACN-(2-methylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
SMILESCc1ccccc1Cn1cc(CCC(=O)NC2CCCCC2C)c2ccccc21
InChIInChI=1S/C26H32N2O/c1-19-9-3-5-11-21(19)17-28-18-22(23-12-6-8-14-25(23)28)15-16-26(29)27-24-13-7-4-10-20(24)2/h3,5-6,8-9,11-12,14,18,20,24H,4,7,10,13,15-17H2,1-2H3,(H,27,29)
InChIKeyVIFQXFGGROEPHB-UHFFFAOYSA-N
MW388.56 g/mol
LogP5.63
Rot. Bonds6

About N-(2-methylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide

N-(2-methylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide (PubChem CID 20900033) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
PubChem CID20900033
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC NameN-(2-methylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
SMILESCc1ccccc1Cn1cc(CCC(=O)NC2CCCCC2C)c2ccccc21
InChIInChI=1S/C26H32N2O/c1-19-9-3-5-11-21(19)17-28-18-22(23-12-6-8-14-25(23)28)15-16-26(29)27-24-13-7-4-10-20(24)2/h3,5-6,8-9,11-12,14,18,20,24H,4,7,10,13,15-17H2,1-2H3,(H,27,29)
InChIKeyVIFQXFGGROEPHB-UHFFFAOYSA-N
XLogP5.63
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900035
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 20900031
N-cycloheptyl-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide
CID 20900075
N-(2-methylcyclohexyl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 43958367
N-butyl-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900041
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 20900008
N-(cyclopenta-1,3-dien-1-ylmethyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 164781372
3-(1-benzylindol-3-yl)-N-cycloheptylpropanamide
CID 4616426
2-[3-(2-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812084
4-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-pyrrolidin-1-ylbutan-1-one
CID 22522978
5-[1-[(2-methylphenyl)methyl]indol-3-yl]pentan-2-one;1,2,3-trimethylbenzene
CID 154688157
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 46274643

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide?
The IUPAC name of N-(2-methylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide (CID 20900033) is N-(2-methylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide?
The canonical SMILES for N-(2-methylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide is Cc1ccccc1Cn1cc(CCC(=O)NC2CCCCC2C)c2ccccc21.
What is the InChIKey of N-(2-methylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide?
The InChIKey is VIFQXFGGROEPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O/c1-19-9-3-5-11-21(19)17-28-18-22(23-12-6-8-14-25(23)28)15-16-26(29)27-24-13-7-4-10-20(24)2/h3,5-6,8-9,11-12,14,18,20,24H,4,7,10,13,15-17H2,1-2H3,(H,27,29).
What are the key properties of N-(2-methylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide?
N-(2-methylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide has a molecular weight of 388.56 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide is sourced from PubChem (CID 20900033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).