N-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide

C18H18N2O2 — CID 110782317

IUPACN-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide
SMILESCc1[nH]c2ccccc2c1CNC(=O)COc1ccccc1
InChIInChI=1S/C18H18N2O2/c1-13-16(15-9-5-6-10-17(15)20-13)11-19-18(21)12-22-14-7-3-2-4-8-14/h2-10,20H,11-12H2,1H3,(H,19,21)
InChIKeyTYVCJJLELGDTLT-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.17
Rot. Bonds5

About N-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide

N-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide (PubChem CID 110782317) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide
PubChem CID110782317
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide
SMILESCc1[nH]c2ccccc2c1CNC(=O)COc1ccccc1
InChIInChI=1S/C18H18N2O2/c1-13-16(15-9-5-6-10-17(15)20-13)11-19-18(21)12-22-14-7-3-2-4-8-14/h2-10,20H,11-12H2,1H3,(H,19,21)
InChIKeyTYVCJJLELGDTLT-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

phenyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate
CID 110782331
N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-2-phenoxyacetamide
CID 2156420
methyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate
CID 110782329
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-phenoxyacetamide
CID 113085913
1-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]urea
CID 115169132
4-amino-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide
CID 115155288
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
N-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide
CID 110784498
1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea
CID 110775099
2-(cyclopropylamino)-N-[(2-methyl-1H-indol-3-yl)methyl]acetamide
CID 115158454
N-[(2-methyl-1H-indol-3-yl)methyl]pyrazine-2-carboxamide
CID 110794075
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide (CID 110782317) is N-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide is Cc1[nH]c2ccccc2c1CNC(=O)COc1ccccc1.
What is the InChIKey of N-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide?
The InChIKey is TYVCJJLELGDTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13-16(15-9-5-6-10-17(15)20-13)11-19-18(21)12-22-14-7-3-2-4-8-14/h2-10,20H,11-12H2,1H3,(H,19,21).
What are the key properties of N-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide?
N-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide has a molecular weight of 294.35 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 110782317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).