N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-ethenylphenyl)-1H-indol-3-yl]acetamide

C27H33N3O — CID 69405463

IUPACN-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-ethenylphenyl)-1H-indol-3-yl]acetamide
SMILESC=Cc1ccc(-c2ccc3c(CC(=O)NCCN(C)C4CCCCC4)c[nH]c3c2)cc1
InChIInChI=1S/C27H33N3O/c1-3-20-9-11-21(12-10-20)22-13-14-25-23(19-29-26(25)17-22)18-27(31)28-15-16-30(2)24-7-5-4-6-8-24/h3,9-14,17,19,24,29H,1,4-8,15-16,18H2,2H3,(H,28,31)
InChIKeyOTFHWYGXXXONBX-UHFFFAOYSA-N
MW415.58 g/mol
LogP5.40
Rot. Bonds8

About N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-ethenylphenyl)-1H-indol-3-yl]acetamide

N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-ethenylphenyl)-1H-indol-3-yl]acetamide (PubChem CID 69405463) has the molecular formula C27H33N3O and a molecular weight of 415.58 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-ethenylphenyl)-1H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-ethenylphenyl)-1H-indol-3-yl]acetamide
PubChem CID69405463
Molecular FormulaC27H33N3O
Molecular Weight415.58 g/mol
Exact Mass415.26
IUPAC NameN-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-ethenylphenyl)-1H-indol-3-yl]acetamide
SMILESC=Cc1ccc(-c2ccc3c(CC(=O)NCCN(C)C4CCCCC4)c[nH]c3c2)cc1
InChIInChI=1S/C27H33N3O/c1-3-20-9-11-21(12-10-20)22-13-14-25-23(19-29-26(25)17-22)18-27(31)28-15-16-30(2)24-7-5-4-6-8-24/h3,9-14,17,19,24,29H,1,4-8,15-16,18H2,2H3,(H,28,31)
InChIKeyOTFHWYGXXXONBX-UHFFFAOYSA-N
XLogP5.40
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(3-fluorophenyl)-1H-indol-3-yl]acetamide
CID 69405813
N-[2-(azepan-1-yl)ethyl]-2-[6-(4-methylphenyl)-1H-indol-3-yl]acetamide
CID 90754095
N-[2-(dimethylamino)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 113209367
N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107029703
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113056716
N-[2-[cyclohexyl(methyl)amino]ethyl]pentanamide
CID 86848662
N-[(3-hydroxycyclohexyl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide
CID 111459680
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(6-phenylindol-1-yl)acetamide
CID 25049921
2-(6-chloro-1H-indol-3-yl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide
CID 111426163
N-[2-[cycloheptyl(methyl)amino]ethyl]-2-methylpropanamide
CID 59205256
N-[2-[cyclopentyl(methyl)amino]ethyl]-3,4-dihydroxybenzamide
CID 103956034
N-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxy-4-iodobenzamide
CID 104628315

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-ethenylphenyl)-1H-indol-3-yl]acetamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-ethenylphenyl)-1H-indol-3-yl]acetamide (CID 69405463) is N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-ethenylphenyl)-1H-indol-3-yl]acetamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-ethenylphenyl)-1H-indol-3-yl]acetamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-ethenylphenyl)-1H-indol-3-yl]acetamide is C=Cc1ccc(-c2ccc3c(CC(=O)NCCN(C)C4CCCCC4)c[nH]c3c2)cc1.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-ethenylphenyl)-1H-indol-3-yl]acetamide?
The InChIKey is OTFHWYGXXXONBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O/c1-3-20-9-11-21(12-10-20)22-13-14-25-23(19-29-26(25)17-22)18-27(31)28-15-16-30(2)24-7-5-4-6-8-24/h3,9-14,17,19,24,29H,1,4-8,15-16,18H2,2H3,(H,28,31).
What are the key properties of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-ethenylphenyl)-1H-indol-3-yl]acetamide?
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-ethenylphenyl)-1H-indol-3-yl]acetamide has a molecular weight of 415.58 g/mol, XLogP of 5.40, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-ethenylphenyl)-1H-indol-3-yl]acetamide is sourced from PubChem (CID 69405463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).