N-[(2-methyl-5-prop-2-enoxy-1H-indol-3-yl)methyl]acetamide

C15H18N2O2 — CID 20647479

IUPACN-[(2-methyl-5-prop-2-enoxy-1H-indol-3-yl)methyl]acetamide
SMILESC=CCOc1ccc2[nH]c(C)c(CNC(C)=O)c2c1
InChIInChI=1S/C15H18N2O2/c1-4-7-19-12-5-6-15-13(8-12)14(10(2)17-15)9-16-11(3)18/h4-6,8,17H,1,7,9H2,2-3H3,(H,16,18)
InChIKeyRKYDANXORPZHGA-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.68
Rot. Bonds5

About N-[(2-methyl-5-prop-2-enoxy-1H-indol-3-yl)methyl]acetamide

N-[(2-methyl-5-prop-2-enoxy-1H-indol-3-yl)methyl]acetamide (PubChem CID 20647479) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(2-methyl-5-prop-2-enoxy-1H-indol-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-methyl-5-prop-2-enoxy-1H-indol-3-yl)methyl]acetamide
PubChem CID20647479
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[(2-methyl-5-prop-2-enoxy-1H-indol-3-yl)methyl]acetamide
SMILESC=CCOc1ccc2[nH]c(C)c(CNC(C)=O)c2c1
InChIInChI=1S/C15H18N2O2/c1-4-7-19-12-5-6-15-13(8-12)14(10(2)17-15)9-16-11(3)18/h4-6,8,17H,1,7,9H2,2-3H3,(H,16,18)
InChIKeyRKYDANXORPZHGA-UHFFFAOYSA-N
XLogP2.68
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-5-prop-2-enoxy-1H-indol-3-yl)methyl]acetamide?
The IUPAC name of N-[(2-methyl-5-prop-2-enoxy-1H-indol-3-yl)methyl]acetamide (CID 20647479) is N-[(2-methyl-5-prop-2-enoxy-1H-indol-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(2-methyl-5-prop-2-enoxy-1H-indol-3-yl)methyl]acetamide?
The canonical SMILES for N-[(2-methyl-5-prop-2-enoxy-1H-indol-3-yl)methyl]acetamide is C=CCOc1ccc2[nH]c(C)c(CNC(C)=O)c2c1.
What is the InChIKey of N-[(2-methyl-5-prop-2-enoxy-1H-indol-3-yl)methyl]acetamide?
The InChIKey is RKYDANXORPZHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-7-19-12-5-6-15-13(8-12)14(10(2)17-15)9-16-11(3)18/h4-6,8,17H,1,7,9H2,2-3H3,(H,16,18).
What are the key properties of N-[(2-methyl-5-prop-2-enoxy-1H-indol-3-yl)methyl]acetamide?
N-[(2-methyl-5-prop-2-enoxy-1H-indol-3-yl)methyl]acetamide has a molecular weight of 258.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-5-prop-2-enoxy-1H-indol-3-yl)methyl]acetamide is sourced from PubChem (CID 20647479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).