N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methylindol-1-yl)acetamide

C20H29N3O — CID 68707729

IUPACN-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methylindol-1-yl)acetamide
SMILESCc1cccc2c1ccn2CC(=O)NCCN(C)C1CCCCC1
InChIInChI=1S/C20H29N3O/c1-16-7-6-10-19-18(16)11-13-23(19)15-20(24)21-12-14-22(2)17-8-4-3-5-9-17/h6-7,10-11,13,17H,3-5,8-9,12,14-15H2,1-2H3,(H,21,24)
InChIKeyFMXMPDALKXSLHY-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.33
Rot. Bonds6

About N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methylindol-1-yl)acetamide

N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methylindol-1-yl)acetamide (PubChem CID 68707729) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methylindol-1-yl)acetamide
PubChem CID68707729
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC NameN-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methylindol-1-yl)acetamide
SMILESCc1cccc2c1ccn2CC(=O)NCCN(C)C1CCCCC1
InChIInChI=1S/C20H29N3O/c1-16-7-6-10-19-18(16)11-13-23(19)15-20(24)21-12-14-22(2)17-8-4-3-5-9-17/h6-7,10-11,13,17H,3-5,8-9,12,14-15H2,1-2H3,(H,21,24)
InChIKeyFMXMPDALKXSLHY-UHFFFAOYSA-N
XLogP3.33
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.33
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-(4-methylindol-1-yl)acetamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methylindol-1-yl)acetamide (CID 68707729) is N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methylindol-1-yl)acetamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methylindol-1-yl)acetamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methylindol-1-yl)acetamide is Cc1cccc2c1ccn2CC(=O)NCCN(C)C1CCCCC1.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methylindol-1-yl)acetamide?
The InChIKey is FMXMPDALKXSLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-16-7-6-10-19-18(16)11-13-23(19)15-20(24)21-12-14-22(2)17-8-4-3-5-9-17/h6-7,10-11,13,17H,3-5,8-9,12,14-15H2,1-2H3,(H,21,24).
What are the key properties of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methylindol-1-yl)acetamide?
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methylindol-1-yl)acetamide has a molecular weight of 327.47 g/mol, XLogP of 3.33, 6 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-(4-methylindol-1-yl)acetamide is sourced from PubChem (CID 68707729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).