N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide

C18H18N2O2 — CID 110357464

IUPACN-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H18N2O2/c1-22-15-8-6-13(7-9-15)10-18(21)20-12-14-11-19-17-5-3-2-4-16(14)17/h2-9,11,19H,10,12H2,1H3,(H,20,21)
InChIKeyRRARGVSXCAKBQB-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.04
Rot. Bonds5

About N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide

N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide (PubChem CID 110357464) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide
PubChem CID110357464
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H18N2O2/c1-22-15-8-6-13(7-9-15)10-18(21)20-12-14-11-19-17-5-3-2-4-16(14)17/h2-9,11,19H,10,12H2,1H3,(H,20,21)
InChIKeyRRARGVSXCAKBQB-UHFFFAOYSA-N
XLogP3.04
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 9451408
2-(1H-indol-3-yl)-N-[4-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 112982718
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2475685
2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 17053042
3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanethioamide
CID 89150467
2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2544461
methyl (2R)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)methylamino]propanoate
CID 53306565
N-(1H-indol-3-ylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 110357480
3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4782159
N-[2-(4-ethylphenoxy)ethyl]-2-(1H-indol-3-yl)acetamide
CID 113100092
2-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 71709801

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide (CID 110357464) is N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is RRARGVSXCAKBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-22-15-8-6-13(7-9-15)10-18(21)20-12-14-11-19-17-5-3-2-4-16(14)17/h2-9,11,19H,10,12H2,1H3,(H,20,21).
What are the key properties of N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide?
N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 294.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 110357464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).