N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-methoxyacetamide

C14H18N2O3 — CID 53093533

IUPACN-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C14H18N2O3/c1-10(17)16-6-5-12-7-11(3-4-13(12)16)8-15-14(18)9-19-2/h3-4,7H,5-6,8-9H2,1-2H3,(H,15,18)
InChIKeyJMLCBCAODBCFEO-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.86
Rot. Bonds4

About N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-methoxyacetamide

N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-methoxyacetamide (PubChem CID 53093533) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-methoxyacetamide
PubChem CID53093533
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C14H18N2O3/c1-10(17)16-6-5-12-7-11(3-4-13(12)16)8-15-14(18)9-19-2/h3-4,7H,5-6,8-9H2,1-2H3,(H,15,18)
InChIKeyJMLCBCAODBCFEO-UHFFFAOYSA-N
XLogP0.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-methylbutanamide
CID 53093528
1-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 53089926
1-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-(2,4-dimethoxyphenyl)urea
CID 53089931
methyl 4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoate
CID 110452261
methyl 2-[(1-acetyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]-4-chlorobenzoate
CID 53089927
methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-3-chlorobutanoate
CID 82352066
3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 53093588
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide
CID 103606736
4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoic acid
CID 110452215
1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 21254818
3,4,5-trimethoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzamide
CID 53043786
N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-chlorobenzenesulfonamide
CID 53092459

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-methoxyacetamide?
The IUPAC name of N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-methoxyacetamide (CID 53093533) is N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-methoxyacetamide?
The canonical SMILES for N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-methoxyacetamide is COCC(=O)NCc1ccc2c(c1)CCN2C(C)=O.
What is the InChIKey of N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-methoxyacetamide?
The InChIKey is JMLCBCAODBCFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(17)16-6-5-12-7-11(3-4-13(12)16)8-15-14(18)9-19-2/h3-4,7H,5-6,8-9H2,1-2H3,(H,15,18).
What are the key properties of N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-methoxyacetamide?
N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-methoxyacetamide has a molecular weight of 262.31 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-methoxyacetamide is sourced from PubChem (CID 53093533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).