N-[(1-benzylindol-4-yl)methyl]-3-hydroxypropanamide

C19H20N2O2 — CID 176845405

IUPACN-[(1-benzylindol-4-yl)methyl]-3-hydroxypropanamide
SMILESO=C(CCO)NCc1cccc2c1ccn2Cc1ccccc1
InChIInChI=1S/C19H20N2O2/c22-12-10-19(23)20-13-16-7-4-8-18-17(16)9-11-21(18)14-15-5-2-1-3-6-15/h1-9,11,22H,10,12-14H2,(H,20,23)
InChIKeyNPMCVKMWIFMNKR-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.69
Rot. Bonds6

About N-[(1-benzylindol-4-yl)methyl]-3-hydroxypropanamide

N-[(1-benzylindol-4-yl)methyl]-3-hydroxypropanamide (PubChem CID 176845405) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(1-benzylindol-4-yl)methyl]-3-hydroxypropanamide.

Molecular Properties

Compound NameN-[(1-benzylindol-4-yl)methyl]-3-hydroxypropanamide
PubChem CID176845405
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[(1-benzylindol-4-yl)methyl]-3-hydroxypropanamide
SMILESO=C(CCO)NCc1cccc2c1ccn2Cc1ccccc1
InChIInChI=1S/C19H20N2O2/c22-12-10-19(23)20-13-16-7-4-8-18-17(16)9-11-21(18)14-15-5-2-1-3-6-15/h1-9,11,22H,10,12-14H2,(H,20,23)
InChIKeyNPMCVKMWIFMNKR-UHFFFAOYSA-N
XLogP2.69
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzylindol-4-yl)methyl]-2-hydroxyacetamide
CID 176845587
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-(pyridin-4-ylmethyl)indol-4-yl]methylamino]ethanol
CID 176845459
2-[[1-[(2-chlorophenyl)methyl]indol-4-yl]methylamino]ethanol
CID 176845640
2-(1-benzylindol-3-yl)-N-methylacetamide
CID 13010553
N-[(3-chlorophenyl)methyl]-3-(1-ethylindol-4-yl)propanamide
CID 53160248
N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide
CID 115139087
1-benzyl-4-(2H-tetrazol-5-ylmethyl)indole
CID 54073060
3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide
CID 4616418
2-(1-benzylindol-3-yl)ethanol
CID 13134935

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylindol-4-yl)methyl]-3-hydroxypropanamide?
The IUPAC name of N-[(1-benzylindol-4-yl)methyl]-3-hydroxypropanamide (CID 176845405) is N-[(1-benzylindol-4-yl)methyl]-3-hydroxypropanamide.
What is the SMILES notation for N-[(1-benzylindol-4-yl)methyl]-3-hydroxypropanamide?
The canonical SMILES for N-[(1-benzylindol-4-yl)methyl]-3-hydroxypropanamide is O=C(CCO)NCc1cccc2c1ccn2Cc1ccccc1.
What is the InChIKey of N-[(1-benzylindol-4-yl)methyl]-3-hydroxypropanamide?
The InChIKey is NPMCVKMWIFMNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-12-10-19(23)20-13-16-7-4-8-18-17(16)9-11-21(18)14-15-5-2-1-3-6-15/h1-9,11,22H,10,12-14H2,(H,20,23).
What are the key properties of N-[(1-benzylindol-4-yl)methyl]-3-hydroxypropanamide?
N-[(1-benzylindol-4-yl)methyl]-3-hydroxypropanamide has a molecular weight of 308.38 g/mol, XLogP of 2.69, 6 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]-3-hydroxypropanamide is sourced from PubChem (CID 176845405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).