3-indol-1-yl-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide

C22H26N2O2 — CID 55580848

IUPAC3-indol-1-yl-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
SMILESCC(C)Oc1ccc(C(C)NC(=O)CCn2ccc3ccccc32)cc1
InChIInChI=1S/C22H26N2O2/c1-16(2)26-20-10-8-18(9-11-20)17(3)23-22(25)13-15-24-14-12-19-6-4-5-7-21(19)24/h4-12,14,16-17H,13,15H2,1-3H3,(H,23,25)
InChIKeyZFUWDTYJSAXRPT-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.70
Rot. Bonds7

About 3-indol-1-yl-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide

3-indol-1-yl-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide (PubChem CID 55580848) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-indol-1-yl-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-indol-1-yl-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
PubChem CID55580848
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name3-indol-1-yl-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
SMILESCC(C)Oc1ccc(C(C)NC(=O)CCn2ccc3ccccc32)cc1
InChIInChI=1S/C22H26N2O2/c1-16(2)26-20-10-8-18(9-11-20)17(3)23-22(25)13-15-24-14-12-19-6-4-5-7-21(19)24/h4-12,14,16-17H,13,15H2,1-3H3,(H,23,25)
InChIKeyZFUWDTYJSAXRPT-UHFFFAOYSA-N
XLogP4.70
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-indol-1-yl-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 18115503
N-[1-(3-bromophenyl)ethyl]-3-indol-1-ylpropanamide
CID 55577883
3-indol-1-yl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]propanamide
CID 31002408
3-indol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 47018589
N-propan-2-yl-3-(5-propan-2-yloxyindol-1-yl)propanamide
CID 116625781
3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119285649
4-oxo-4-phenyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide
CID 134045511
2-(4-methoxyphenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134060669
3-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100772662
5-chloro-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 43696732
N-(3-hydroxybutyl)-3-indol-1-ylpropanamide
CID 111429170
3-(3-indol-1-ylpropanoylamino)-2-methylpropanoic acid
CID 119236973

Frequently Asked Questions

What is the IUPAC name of 3-indol-1-yl-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide?
The IUPAC name of 3-indol-1-yl-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide (CID 55580848) is 3-indol-1-yl-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-indol-1-yl-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-indol-1-yl-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide is CC(C)Oc1ccc(C(C)NC(=O)CCn2ccc3ccccc32)cc1.
What is the InChIKey of 3-indol-1-yl-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide?
The InChIKey is ZFUWDTYJSAXRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16(2)26-20-10-8-18(9-11-20)17(3)23-22(25)13-15-24-14-12-19-6-4-5-7-21(19)24/h4-12,14,16-17H,13,15H2,1-3H3,(H,23,25).
What are the key properties of 3-indol-1-yl-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide?
3-indol-1-yl-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide has a molecular weight of 350.46 g/mol, XLogP of 4.70, 7 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-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide is sourced from PubChem (CID 55580848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).