N-[(1-benzylindol-4-yl)methyl]-2-hydroxyacetamide

C18H18N2O2 — CID 176845587

IUPACN-[(1-benzylindol-4-yl)methyl]-2-hydroxyacetamide
SMILESO=C(CO)NCc1cccc2c1ccn2Cc1ccccc1
InChIInChI=1S/C18H18N2O2/c21-13-18(22)19-11-15-7-4-8-17-16(15)9-10-20(17)12-14-5-2-1-3-6-14/h1-10,21H,11-13H2,(H,19,22)
InChIKeyAYJPBZCTOUDYEN-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.30
Rot. Bonds5

About N-[(1-benzylindol-4-yl)methyl]-2-hydroxyacetamide

N-[(1-benzylindol-4-yl)methyl]-2-hydroxyacetamide (PubChem CID 176845587) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(1-benzylindol-4-yl)methyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[(1-benzylindol-4-yl)methyl]-2-hydroxyacetamide
PubChem CID176845587
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[(1-benzylindol-4-yl)methyl]-2-hydroxyacetamide
SMILESO=C(CO)NCc1cccc2c1ccn2Cc1ccccc1
InChIInChI=1S/C18H18N2O2/c21-13-18(22)19-11-15-7-4-8-17-16(15)9-10-20(17)12-14-5-2-1-3-6-14/h1-10,21H,11-13H2,(H,19,22)
InChIKeyAYJPBZCTOUDYEN-UHFFFAOYSA-N
XLogP2.30
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzylindol-4-yl)methyl]-3-hydroxypropanamide
CID 176845405
N-(1-benzylindol-4-yl)-3-hydroxypropanamide
CID 176845425
N-[2-[2-[2-[(1-benzylindol-4-yl)methylamino]ethoxy]ethoxy]ethyl]acetamide
CID 177193533
1-benzylindole-4-carbohydrazide
CID 154701001
2-(1-benzylindol-3-yl)-N-methylacetamide
CID 13010553
2-[[1-(pyridin-4-ylmethyl)indol-4-yl]methylamino]ethanol
CID 176845459
2-[[1-[(2-chlorophenyl)methyl]indol-4-yl]methylamino]ethanol
CID 176845640
1-benzyl-4-(2H-tetrazol-5-ylmethyl)indole
CID 54073060
2-(1-benzylindol-3-yl)ethanol
CID 13134935
4-ethyl-1-(2-phenylethyl)indole
CID 143158245
methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate
CID 135031870
3-[(1-benzylindol-3-yl)methylamino]propan-1-ol
CID 119027419

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylindol-4-yl)methyl]-2-hydroxyacetamide?
The IUPAC name of N-[(1-benzylindol-4-yl)methyl]-2-hydroxyacetamide (CID 176845587) is N-[(1-benzylindol-4-yl)methyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[(1-benzylindol-4-yl)methyl]-2-hydroxyacetamide?
The canonical SMILES for N-[(1-benzylindol-4-yl)methyl]-2-hydroxyacetamide is O=C(CO)NCc1cccc2c1ccn2Cc1ccccc1.
What is the InChIKey of N-[(1-benzylindol-4-yl)methyl]-2-hydroxyacetamide?
The InChIKey is AYJPBZCTOUDYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-13-18(22)19-11-15-7-4-8-17-16(15)9-10-20(17)12-14-5-2-1-3-6-14/h1-10,21H,11-13H2,(H,19,22).
What are the key properties of N-[(1-benzylindol-4-yl)methyl]-2-hydroxyacetamide?
N-[(1-benzylindol-4-yl)methyl]-2-hydroxyacetamide has a molecular weight of 294.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylindol-4-yl)methyl]-2-hydroxyacetamide is sourced from PubChem (CID 176845587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).