N-[4-(cyanomethoxy)phenyl]-2-(1H-indol-3-yl)acetamide

C18H15N3O2 — CID 30874167

IUPACN-[4-(cyanomethoxy)phenyl]-2-(1H-indol-3-yl)acetamide
SMILESN#CCOc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H15N3O2/c19-9-10-23-15-7-5-14(6-8-15)21-18(22)11-13-12-20-17-4-2-1-3-16(13)17/h1-8,12,20H,10-11H2,(H,21,22)
InChIKeyCAQOOJZYBSNMBB-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.25
Rot. Bonds5

About N-[4-(cyanomethoxy)phenyl]-2-(1H-indol-3-yl)acetamide

N-[4-(cyanomethoxy)phenyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 30874167) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[4-(cyanomethoxy)phenyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(cyanomethoxy)phenyl]-2-(1H-indol-3-yl)acetamide
PubChem CID30874167
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-[4-(cyanomethoxy)phenyl]-2-(1H-indol-3-yl)acetamide
SMILESN#CCOc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H15N3O2/c19-9-10-23-15-7-5-14(6-8-15)21-18(22)11-13-12-20-17-4-2-1-3-16(13)17/h1-8,12,20H,10-11H2,(H,21,22)
InChIKeyCAQOOJZYBSNMBB-UHFFFAOYSA-N
XLogP3.25
TPSA77.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-indol-3-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 47051345
N-(4-ethoxyphenyl)-4-[[2-(1H-indol-3-yl)acetyl]amino]benzamide
CID 7998970
N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
CID 2093840
N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 113002030
2-(1H-indol-3-yl)-N-[4-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 112982718
2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenoxyanilino)ethyl]acetamide
CID 113000397
N-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 110604202
N-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide
CID 170716792
2-(1H-indol-3-yl)-N-[6-(4-methylphenoxy)-3-pyridinyl]acetamide
CID 52649446
N-[4-(cyanomethoxy)phenyl]-2-(3-hydroxyphenyl)acetamide
CID 61399410
2-(1H-indol-3-yl)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 71799748
2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide
CID 63679924

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethoxy)phenyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[4-(cyanomethoxy)phenyl]-2-(1H-indol-3-yl)acetamide (CID 30874167) is N-[4-(cyanomethoxy)phenyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[4-(cyanomethoxy)phenyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[4-(cyanomethoxy)phenyl]-2-(1H-indol-3-yl)acetamide is N#CCOc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[4-(cyanomethoxy)phenyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is CAQOOJZYBSNMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c19-9-10-23-15-7-5-14(6-8-15)21-18(22)11-13-12-20-17-4-2-1-3-16(13)17/h1-8,12,20H,10-11H2,(H,21,22).
What are the key properties of N-[4-(cyanomethoxy)phenyl]-2-(1H-indol-3-yl)acetamide?
N-[4-(cyanomethoxy)phenyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 305.34 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethoxy)phenyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 30874167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).