N-[2-(cyclohexylmethylamino)ethyl]-2-[6-(4-methoxyphenyl)indol-1-yl]acetamide

C26H33N3O2 — CID 68725984

IUPACN-[2-(cyclohexylmethylamino)ethyl]-2-[6-(4-methoxyphenyl)indol-1-yl]acetamide
SMILESCOc1ccc(-c2ccc3ccn(CC(=O)NCCNCC4CCCCC4)c3c2)cc1
InChIInChI=1S/C26H33N3O2/c1-31-24-11-9-21(10-12-24)23-8-7-22-13-16-29(25(22)17-23)19-26(30)28-15-14-27-18-20-5-3-2-4-6-20/h7-13,16-17,20,27H,2-6,14-15,18-19H2,1H3,(H,28,30)
InChIKeyPQLMNZWTMJYCIE-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.60
Rot. Bonds9

About N-[2-(cyclohexylmethylamino)ethyl]-2-[6-(4-methoxyphenyl)indol-1-yl]acetamide

N-[2-(cyclohexylmethylamino)ethyl]-2-[6-(4-methoxyphenyl)indol-1-yl]acetamide (PubChem CID 68725984) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[2-(cyclohexylmethylamino)ethyl]-2-[6-(4-methoxyphenyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexylmethylamino)ethyl]-2-[6-(4-methoxyphenyl)indol-1-yl]acetamide
PubChem CID68725984
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC NameN-[2-(cyclohexylmethylamino)ethyl]-2-[6-(4-methoxyphenyl)indol-1-yl]acetamide
SMILESCOc1ccc(-c2ccc3ccn(CC(=O)NCCNCC4CCCCC4)c3c2)cc1
InChIInChI=1S/C26H33N3O2/c1-31-24-11-9-21(10-12-24)23-8-7-22-13-16-29(25(22)17-23)19-26(30)28-15-14-27-18-20-5-3-2-4-6-20/h7-13,16-17,20,27H,2-6,14-15,18-19H2,1H3,(H,28,30)
InChIKeyPQLMNZWTMJYCIE-UHFFFAOYSA-N
XLogP4.60
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexylmethylamino)ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide
CID 68706287
methyl 1-[2-[2-(cyclohexylmethylamino)ethylamino]-2-oxoethyl]-6-(4-methylphenyl)indole-2-carboxylate
CID 68709841
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(6-phenylindol-1-yl)acetamide
CID 25049921
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(fluoromethyl)phenyl]indol-1-yl]acetamide
CID 70842233
2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110702432
N-[2-(cyclohexylmethylamino)ethyl]-2-[7-(3-fluorophenyl)indol-1-yl]acetamide
CID 68710826
N-[2-(cyclooctylmethylamino)ethyl]-2-(8-methoxy-5-methyl-4-oxopyrazolo[4,5-c]quinolin-1-yl)acetamide
CID 68545421
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(5-methoxyindol-1-yl)acetamide
CID 71753916
N-(cyclopropylmethyl)-2-(5-ethoxyindol-1-yl)acetamide
CID 116624063
N-[2-(cyclohexylmethylamino)ethyl]-2-[6-(4-methylphenyl)-3-pyrimidin-5-ylindazol-1-yl]acetamide
CID 68707253
2-[6-(aminomethyl)indol-1-yl]-N-(cyclopropylmethyl)acetamide
CID 102916396
cyclobutyl-[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methanone
CID 56851751

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylmethylamino)ethyl]-2-[6-(4-methoxyphenyl)indol-1-yl]acetamide?
The IUPAC name of N-[2-(cyclohexylmethylamino)ethyl]-2-[6-(4-methoxyphenyl)indol-1-yl]acetamide (CID 68725984) is N-[2-(cyclohexylmethylamino)ethyl]-2-[6-(4-methoxyphenyl)indol-1-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexylmethylamino)ethyl]-2-[6-(4-methoxyphenyl)indol-1-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexylmethylamino)ethyl]-2-[6-(4-methoxyphenyl)indol-1-yl]acetamide is COc1ccc(-c2ccc3ccn(CC(=O)NCCNCC4CCCCC4)c3c2)cc1.
What is the InChIKey of N-[2-(cyclohexylmethylamino)ethyl]-2-[6-(4-methoxyphenyl)indol-1-yl]acetamide?
The InChIKey is PQLMNZWTMJYCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-31-24-11-9-21(10-12-24)23-8-7-22-13-16-29(25(22)17-23)19-26(30)28-15-14-27-18-20-5-3-2-4-6-20/h7-13,16-17,20,27H,2-6,14-15,18-19H2,1H3,(H,28,30).
What are the key properties of N-[2-(cyclohexylmethylamino)ethyl]-2-[6-(4-methoxyphenyl)indol-1-yl]acetamide?
N-[2-(cyclohexylmethylamino)ethyl]-2-[6-(4-methoxyphenyl)indol-1-yl]acetamide has a molecular weight of 419.57 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylmethylamino)ethyl]-2-[6-(4-methoxyphenyl)indol-1-yl]acetamide is sourced from PubChem (CID 68725984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).