7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethylheptanamide

C19H28N2O2 — CID 90927867

IUPAC7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethylheptanamide
SMILESCC(CCO)CC(C)CC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H28N2O2/c1-14(8-10-22)11-15(2)12-19(23)20-9-7-16-13-21-18-6-4-3-5-17(16)18/h3-6,13-15,21-22H,7-12H2,1-2H3,(H,20,23)
InChIKeyXIRAMHMMBQTVSH-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.26
Rot. Bonds9

About 7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethylheptanamide

7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethylheptanamide (PubChem CID 90927867) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethylheptanamide.

Molecular Properties

Compound Name7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethylheptanamide
PubChem CID90927867
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethylheptanamide
SMILESCC(CCO)CC(C)CC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H28N2O2/c1-14(8-10-22)11-15(2)12-19(23)20-9-7-16-13-21-18-6-4-3-5-17(16)18/h3-6,13-15,21-22H,7-12H2,1-2H3,(H,20,23)
InChIKeyXIRAMHMMBQTVSH-UHFFFAOYSA-N
XLogP3.26
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxy-2-methylbutyl)-3-(1H-indol-3-yl)propanamide
CID 66109220
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide
CID 20668757
N-[2-(1H-indol-3-yl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
CID 112993944
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
4-[2-(1H-indol-3-yl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496413
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]butanamide
CID 72705410
1-(3-hydroxy-4-methylpentyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 111503815
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethylheptanamide?
The IUPAC name of 7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethylheptanamide (CID 90927867) is 7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethylheptanamide.
What is the SMILES notation for 7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethylheptanamide?
The canonical SMILES for 7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethylheptanamide is CC(CCO)CC(C)CC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethylheptanamide?
The InChIKey is XIRAMHMMBQTVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14(8-10-22)11-15(2)12-19(23)20-9-7-16-13-21-18-6-4-3-5-17(16)18/h3-6,13-15,21-22H,7-12H2,1-2H3,(H,20,23).
What are the key properties of 7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethylheptanamide?
7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethylheptanamide has a molecular weight of 316.44 g/mol, XLogP of 3.26, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethylheptanamide is sourced from PubChem (CID 90927867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).