3-indol-1-yl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]propanamide

C18H20N2O2 — CID 31002408

IUPAC3-indol-1-yl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]propanamide
SMILESCc1ccc([C@@H](C)NC(=O)CCn2ccc3ccccc32)o1
InChIInChI=1S/C18H20N2O2/c1-13-7-8-17(22-13)14(2)19-18(21)10-12-20-11-9-15-5-3-4-6-16(15)20/h3-9,11,14H,10,12H2,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyOBGNKHKECXZIBO-CQSZACIVSA-N
MW296.37 g/mol
LogP3.81
Rot. Bonds5

About 3-indol-1-yl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]propanamide

3-indol-1-yl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]propanamide (PubChem CID 31002408) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-indol-1-yl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-indol-1-yl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]propanamide
PubChem CID31002408
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3-indol-1-yl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]propanamide
SMILESCc1ccc([C@@H](C)NC(=O)CCn2ccc3ccccc32)o1
InChIInChI=1S/C18H20N2O2/c1-13-7-8-17(22-13)14(2)19-18(21)10-12-20-11-9-15-5-3-4-6-16(15)20/h3-9,11,14H,10,12H2,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyOBGNKHKECXZIBO-CQSZACIVSA-N
XLogP3.81
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-indol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 47018589
3-indol-1-yl-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 55580848
N-[1-(3-bromophenyl)ethyl]-3-indol-1-ylpropanamide
CID 55577883
3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 43697661
3-indol-1-yl-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 18115503
3-(3-indol-1-ylpropanoylamino)-2-methylpropanoic acid
CID 119236973
N-(3-hydroxybutyl)-3-indol-1-ylpropanamide
CID 111429170
3-indol-1-yl-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 91639142
3-(4-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 51187923
N-[1-(5-methylfuran-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 47110602
N-[1-(5-methylfuran-2-yl)ethyl]-3-[(2-phenylacetyl)amino]propanamide
CID 51314573
N-[1-(5-methylfuran-2-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 51187811

Frequently Asked Questions

What is the IUPAC name of 3-indol-1-yl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]propanamide?
The IUPAC name of 3-indol-1-yl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]propanamide (CID 31002408) is 3-indol-1-yl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-indol-1-yl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]propanamide?
The canonical SMILES for 3-indol-1-yl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]propanamide is Cc1ccc([C@@H](C)NC(=O)CCn2ccc3ccccc32)o1.
What is the InChIKey of 3-indol-1-yl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]propanamide?
The InChIKey is OBGNKHKECXZIBO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-7-8-17(22-13)14(2)19-18(21)10-12-20-11-9-15-5-3-4-6-16(15)20/h3-9,11,14H,10,12H2,1-2H3,(H,19,21)/t14-/m1/s1.
What are the key properties of 3-indol-1-yl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]propanamide?
3-indol-1-yl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]propanamide has a molecular weight of 296.37 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-yl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]propanamide is sourced from PubChem (CID 31002408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).