N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide

C25H31N3O2 — CID 78873256

IUPACN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)Nc3ccccc3CN(C)C3CCCCC3)c2c1
InChIInChI=1S/C25H31N3O2/c1-28(20-9-4-3-5-10-20)17-18-8-6-7-11-23(18)27-25(29)14-19-16-26-24-13-12-21(30-2)15-22(19)24/h6-8,11-13,15-16,20,26H,3-5,9-10,14,17H2,1-2H3,(H,27,29)
InChIKeyVPBKQLRYDBRRMZ-UHFFFAOYSA-N
MW405.54 g/mol
LogP5.12
Rot. Bonds7

About N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide (PubChem CID 78873256) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
PubChem CID78873256
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)Nc3ccccc3CN(C)C3CCCCC3)c2c1
InChIInChI=1S/C25H31N3O2/c1-28(20-9-4-3-5-10-20)17-18-8-6-7-11-23(18)27-25(29)14-19-16-26-24-13-12-21(30-2)15-22(19)24/h6-8,11-13,15-16,20,26H,3-5,9-10,14,17H2,1-2H3,(H,27,29)
InChIKeyVPBKQLRYDBRRMZ-UHFFFAOYSA-N
XLogP5.12
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate
CID 113209687
N-[(4-cyclohexyloxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 60614816
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 66675128
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 18146366
2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 113209591
(2S)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51945000
N-(2,6-dichlorophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209712
2-(5-methoxy-1H-indol-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 86985838
N-(4-bromophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209668
methyl 4-chloro-3-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate
CID 113209690
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylcyclopropanamine
CID 67231451

Frequently Asked Questions

What is the IUPAC name of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide (CID 78873256) is N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide is COc1ccc2[nH]cc(CC(=O)Nc3ccccc3CN(C)C3CCCCC3)c2c1.
What is the InChIKey of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide?
The InChIKey is VPBKQLRYDBRRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-28(20-9-4-3-5-10-20)17-18-8-6-7-11-23(18)27-25(29)14-19-16-26-24-13-12-21(30-2)15-22(19)24/h6-8,11-13,15-16,20,26H,3-5,9-10,14,17H2,1-2H3,(H,27,29).
What are the key properties of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide?
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide has a molecular weight of 405.54 g/mol, XLogP of 5.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 78873256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).