N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(6-phenylindol-1-yl)acetamide

C25H31N3O — CID 25049921

IUPACN-[2-[cyclohexyl(methyl)amino]ethyl]-2-(6-phenylindol-1-yl)acetamide
SMILESCN(CCNC(=O)Cn1ccc2ccc(-c3ccccc3)cc21)C1CCCCC1
InChIInChI=1S/C25H31N3O/c1-27(23-10-6-3-7-11-23)17-15-26-25(29)19-28-16-14-21-12-13-22(18-24(21)28)20-8-4-2-5-9-20/h2,4-5,8-9,12-14,16,18,23H,3,6-7,10-11,15,17,19H2,1H3,(H,26,29)
InChIKeyRPTMZVPPSVIZIQ-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.69
Rot. Bonds7

About N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(6-phenylindol-1-yl)acetamide

N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(6-phenylindol-1-yl)acetamide (PubChem CID 25049921) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(6-phenylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]ethyl]-2-(6-phenylindol-1-yl)acetamide
PubChem CID25049921
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC NameN-[2-[cyclohexyl(methyl)amino]ethyl]-2-(6-phenylindol-1-yl)acetamide
SMILESCN(CCNC(=O)Cn1ccc2ccc(-c3ccccc3)cc21)C1CCCCC1
InChIInChI=1S/C25H31N3O/c1-27(23-10-6-3-7-11-23)17-15-26-25(29)19-28-16-14-21-12-13-22(18-24(21)28)20-8-4-2-5-9-20/h2,4-5,8-9,12-14,16,18,23H,3,6-7,10-11,15,17,19H2,1H3,(H,26,29)
InChIKeyRPTMZVPPSVIZIQ-UHFFFAOYSA-N
XLogP4.69
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(6-phenylindol-1-yl)acetamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(6-phenylindol-1-yl)acetamide (CID 25049921) is N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(6-phenylindol-1-yl)acetamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(6-phenylindol-1-yl)acetamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(6-phenylindol-1-yl)acetamide is CN(CCNC(=O)Cn1ccc2ccc(-c3ccccc3)cc21)C1CCCCC1.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(6-phenylindol-1-yl)acetamide?
The InChIKey is RPTMZVPPSVIZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-27(23-10-6-3-7-11-23)17-15-26-25(29)19-28-16-14-21-12-13-22(18-24(21)28)20-8-4-2-5-9-20/h2,4-5,8-9,12-14,16,18,23H,3,6-7,10-11,15,17,19H2,1H3,(H,26,29).
What are the key properties of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(6-phenylindol-1-yl)acetamide?
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(6-phenylindol-1-yl)acetamide has a molecular weight of 389.54 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(6-phenylindol-1-yl)acetamide is sourced from PubChem (CID 25049921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).