N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2,2,4-trimethylpentanamide

C18H26N2O2 — CID 143884091

IUPACN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2,2,4-trimethylpentanamide
SMILESCC(C)CC(C)(C)C(=O)NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C18H26N2O2/c1-12(2)10-18(3,4)17(22)19-8-7-13-11-20-16-6-5-14(21)9-15(13)16/h5-6,9,11-12,20-21H,7-8,10H2,1-4H3,(H,19,22)
InChIKeyVLCGFZHFFULIIY-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.60
Rot. Bonds6

About N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2,2,4-trimethylpentanamide

N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2,2,4-trimethylpentanamide (PubChem CID 143884091) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2,2,4-trimethylpentanamide.

Molecular Properties

Compound NameN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2,2,4-trimethylpentanamide
PubChem CID143884091
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2,2,4-trimethylpentanamide
SMILESCC(C)CC(C)(C)C(=O)NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C18H26N2O2/c1-12(2)10-18(3,4)17(22)19-8-7-13-11-20-16-6-5-14(21)9-15(13)16/h5-6,9,11-12,20-21H,7-8,10H2,1-4H3,(H,19,22)
InChIKeyVLCGFZHFFULIIY-UHFFFAOYSA-N
XLogP3.60
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-5-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-5-oxopentanoic acid
CID 15234236
2-amino-N-[2-[[2-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
CID 3344323
(4-methoxyphenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
CID 24749698
2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;methane;2-methylpropane
CID 164563516
3-propyl-1H-indol-5-ol
CID 15366338
(4E,7E,10E,13E,16E,19E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 171042317
2-(3-fluoro-4-phenylphenyl)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]propanamide
CID 118723549
3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 69014970
(3-methylphenyl)methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
CID 6734996
[2-[2-(5-hydroxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 118723540
methyl 3-(5-hydroxy-1H-indol-3-yl)-2-methylpropanoate
CID 66819072
methyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate
CID 14288547

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2,2,4-trimethylpentanamide?
The IUPAC name of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2,2,4-trimethylpentanamide (CID 143884091) is N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2,2,4-trimethylpentanamide.
What is the SMILES notation for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2,2,4-trimethylpentanamide?
The canonical SMILES for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2,2,4-trimethylpentanamide is CC(C)CC(C)(C)C(=O)NCCc1c[nH]c2ccc(O)cc12.
What is the InChIKey of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2,2,4-trimethylpentanamide?
The InChIKey is VLCGFZHFFULIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-12(2)10-18(3,4)17(22)19-8-7-13-11-20-16-6-5-14(21)9-15(13)16/h5-6,9,11-12,20-21H,7-8,10H2,1-4H3,(H,19,22).
What are the key properties of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2,2,4-trimethylpentanamide?
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2,2,4-trimethylpentanamide has a molecular weight of 302.42 g/mol, XLogP of 3.60, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2,2,4-trimethylpentanamide is sourced from PubChem (CID 143884091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).