2-(2,3-dihydro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide

C17H18N2O2 — CID 80572158

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
SMILESO=C(CC1CNc2ccccc21)Nc1cccc(CO)c1
InChIInChI=1S/C17H18N2O2/c20-11-12-4-3-5-14(8-12)19-17(21)9-13-10-18-16-7-2-1-6-15(13)16/h1-8,13,18,20H,9-11H2,(H,19,21)
InChIKeyBCCXVWLUAVCADD-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.72
Rot. Bonds4

About 2-(2,3-dihydro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide

2-(2,3-dihydro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide (PubChem CID 80572158) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
PubChem CID80572158
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
SMILESO=C(CC1CNc2ccccc21)Nc1cccc(CO)c1
InChIInChI=1S/C17H18N2O2/c20-11-12-4-3-5-14(8-12)19-17(21)9-13-10-18-16-7-2-1-6-15(13)16/h1-8,13,18,20H,9-11H2,(H,19,21)
InChIKeyBCCXVWLUAVCADD-UHFFFAOYSA-N
XLogP2.72
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573961
N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80565407
N-(4-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573033
N-(3-bromo-5-methylphenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 107583431
2-(2,3-dihydro-1H-indol-3-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 80572001
2-(2,3-dihydro-1H-indol-3-yl)-N-pyridazin-3-ylacetamide
CID 116786750
2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid
CID 80573099
2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide
CID 83020755
2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 80573232
N-(2-cyanophenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80571680
N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573936
2-(2,3-dihydro-1H-indol-3-yl)-N-[(4-hydroxyphenyl)methyl]acetamide
CID 114332228

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide (CID 80572158) is 2-(2,3-dihydro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide is O=C(CC1CNc2ccccc21)Nc1cccc(CO)c1.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide?
The InChIKey is BCCXVWLUAVCADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-11-12-4-3-5-14(8-12)19-17(21)9-13-10-18-16-7-2-1-6-15(13)16/h1-8,13,18,20H,9-11H2,(H,19,21).
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide?
2-(2,3-dihydro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide has a molecular weight of 282.34 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide is sourced from PubChem (CID 80572158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).