N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide

C21H20N2O2 — CID 25470256

IUPACN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide
SMILESC[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1cc2ccccc2o1
InChIInChI=1S/C21H20N2O2/c1-14(20-12-15-6-2-5-9-19(15)25-20)23-21(24)11-10-16-13-22-18-8-4-3-7-17(16)18/h2-9,12-14,22H,10-11H2,1H3,(H,23,24)/t14-/m1/s1
InChIKeyGSQJRORNBRYCID-CQSZACIVSA-N
MW332.40 g/mol
LogP4.72
Rot. Bonds5

About N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 25470256) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide
PubChem CID25470256
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide
SMILESC[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1cc2ccccc2o1
InChIInChI=1S/C21H20N2O2/c1-14(20-12-15-6-2-5-9-19(15)25-20)23-21(24)11-10-16-13-22-18-8-4-3-7-17(16)18/h2-9,12-14,22H,10-11H2,1H3,(H,23,24)/t14-/m1/s1
InChIKeyGSQJRORNBRYCID-CQSZACIVSA-N
XLogP4.72
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
3-(1H-indol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 41291005
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
N-[1-[4-(dimethylamino)phenyl]ethyl]-3-(1H-indol-3-yl)propanamide
CID 70160592
2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide
CID 47315730
N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854523
3-(1H-indol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 4794791
3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide
CID 18074487
4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide
CID 4806761
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 9366106
3-(1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide
CID 97086843
N-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9367319

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide (CID 25470256) is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide is C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1cc2ccccc2o1.
What is the InChIKey of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is GSQJRORNBRYCID-CQSZACIVSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-14(20-12-15-6-2-5-9-19(15)25-20)23-21(24)11-10-16-13-22-18-8-4-3-7-17(16)18/h2-9,12-14,22H,10-11H2,1H3,(H,23,24)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide?
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 332.40 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 25470256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).