N-[2-(1H-indol-3-yl)ethyl]-3-(2-propan-2-yloxyanilino)propanamide

C22H27N3O2 — CID 109027445

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-(2-propan-2-yloxyanilino)propanamide
SMILESCC(C)Oc1ccccc1NCCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H27N3O2/c1-16(2)27-21-10-6-5-9-20(21)23-14-12-22(26)24-13-11-17-15-25-19-8-4-3-7-18(17)19/h3-10,15-16,23,25H,11-14H2,1-2H3,(H,24,26)
InChIKeySPDMBKHIESLXSD-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.12
Rot. Bonds9

About N-[2-(1H-indol-3-yl)ethyl]-3-(2-propan-2-yloxyanilino)propanamide

N-[2-(1H-indol-3-yl)ethyl]-3-(2-propan-2-yloxyanilino)propanamide (PubChem CID 109027445) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-(2-propan-2-yloxyanilino)propanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-(2-propan-2-yloxyanilino)propanamide
PubChem CID109027445
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-(2-propan-2-yloxyanilino)propanamide
SMILESCC(C)Oc1ccccc1NCCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H27N3O2/c1-16(2)27-21-10-6-5-9-20(21)23-14-12-22(26)24-13-11-17-15-25-19-8-4-3-7-18(17)19/h3-10,15-16,23,25H,11-14H2,1-2H3,(H,24,26)
InChIKeySPDMBKHIESLXSD-UHFFFAOYSA-N
XLogP4.12
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1H-indol-3-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 109027564
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027411
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide
CID 108949616
3-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027454
3-(4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027444
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 4796568
ethyl 4-[[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]amino]benzoate
CID 109027473
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224
3-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)propanamide
CID 109027558
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-(2-propan-2-yloxyanilino)propanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-(2-propan-2-yloxyanilino)propanamide (CID 109027445) is N-[2-(1H-indol-3-yl)ethyl]-3-(2-propan-2-yloxyanilino)propanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-(2-propan-2-yloxyanilino)propanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-(2-propan-2-yloxyanilino)propanamide is CC(C)Oc1ccccc1NCCC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-(2-propan-2-yloxyanilino)propanamide?
The InChIKey is SPDMBKHIESLXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16(2)27-21-10-6-5-9-20(21)23-14-12-22(26)24-13-11-17-15-25-19-8-4-3-7-18(17)19/h3-10,15-16,23,25H,11-14H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-(2-propan-2-yloxyanilino)propanamide?
N-[2-(1H-indol-3-yl)ethyl]-3-(2-propan-2-yloxyanilino)propanamide has a molecular weight of 365.48 g/mol, XLogP of 4.12, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3-(2-propan-2-yloxyanilino)propanamide is sourced from PubChem (CID 109027445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).