N-(1-benzylindol-4-yl)-3-hydroxypropanamide

C18H18N2O2 — CID 176845425

IUPACN-(1-benzylindol-4-yl)-3-hydroxypropanamide
SMILESO=C(CCO)Nc1cccc2c1ccn2Cc1ccccc1
InChIInChI=1S/C18H18N2O2/c21-12-10-18(22)19-16-7-4-8-17-15(16)9-11-20(17)13-14-5-2-1-3-6-14/h1-9,11,21H,10,12-13H2,(H,19,22)
InChIKeyCBLKVNRWQYWHPM-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.01
Rot. Bonds5

About N-(1-benzylindol-4-yl)-3-hydroxypropanamide

N-(1-benzylindol-4-yl)-3-hydroxypropanamide (PubChem CID 176845425) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(1-benzylindol-4-yl)-3-hydroxypropanamide.

Molecular Properties

Compound NameN-(1-benzylindol-4-yl)-3-hydroxypropanamide
PubChem CID176845425
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-(1-benzylindol-4-yl)-3-hydroxypropanamide
SMILESO=C(CCO)Nc1cccc2c1ccn2Cc1ccccc1
InChIInChI=1S/C18H18N2O2/c21-12-10-18(22)19-16-7-4-8-17-15(16)9-11-20(17)13-14-5-2-1-3-6-14/h1-9,11,21H,10,12-13H2,(H,19,22)
InChIKeyCBLKVNRWQYWHPM-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
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)methyl]-2-hydroxyacetamide
CID 176845587
1-benzylindole-4-carbohydrazide
CID 154701001
2-(1-benzylindol-4-yl)oxy-N-(2-methoxy-3-pyridinyl)acetamide
CID 110204765
3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide
CID 1010239
2-(4-acetamidoindol-1-yl)-N-[1-(2-methylpropyl)indol-4-yl]acetamide
CID 71827915
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
2-[4-(2-methylpropanoylamino)indol-1-yl]acetic acid
CID 154846912
2-[(1-benzylpyrrolo[3,2-c]pyridin-4-yl)methylamino]ethanol;ethanol;N-[1-[(4-ethylphenyl)methyl]indol-4-yl]formamide
CID 177193616
2-(4-acetamidoindol-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 71827899
N-(2-aminophenyl)-2-(4-fluoroindol-1-yl)acetamide
CID 82782601
2-(1-benzylindol-3-yl)-N-methylacetamide
CID 13010553

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylindol-4-yl)-3-hydroxypropanamide?
The IUPAC name of N-(1-benzylindol-4-yl)-3-hydroxypropanamide (CID 176845425) is N-(1-benzylindol-4-yl)-3-hydroxypropanamide.
What is the SMILES notation for N-(1-benzylindol-4-yl)-3-hydroxypropanamide?
The canonical SMILES for N-(1-benzylindol-4-yl)-3-hydroxypropanamide is O=C(CCO)Nc1cccc2c1ccn2Cc1ccccc1.
What is the InChIKey of N-(1-benzylindol-4-yl)-3-hydroxypropanamide?
The InChIKey is CBLKVNRWQYWHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-12-10-18(22)19-16-7-4-8-17-15(16)9-11-20(17)13-14-5-2-1-3-6-14/h1-9,11,21H,10,12-13H2,(H,19,22).
What are the key properties of N-(1-benzylindol-4-yl)-3-hydroxypropanamide?
N-(1-benzylindol-4-yl)-3-hydroxypropanamide has a molecular weight of 294.35 g/mol, XLogP of 3.01, 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)-3-hydroxypropanamide is sourced from PubChem (CID 176845425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).