2-hydroxy-N-(1H-indol-2-ylmethyl)-4-methylpentanamide

C15H20N2O2 — CID 86286685

IUPAC2-hydroxy-N-(1H-indol-2-ylmethyl)-4-methylpentanamide
SMILESCC(C)CC(O)C(=O)NCc1cc2ccccc2[nH]1
InChIInChI=1S/C15H20N2O2/c1-10(2)7-14(18)15(19)16-9-12-8-11-5-3-4-6-13(11)17-12/h3-6,8,10,14,17-18H,7,9H2,1-2H3,(H,16,19)
InChIKeyDUGLKNQGWQOQIQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.19
Rot. Bonds5

About 2-hydroxy-N-(1H-indol-2-ylmethyl)-4-methylpentanamide

2-hydroxy-N-(1H-indol-2-ylmethyl)-4-methylpentanamide (PubChem CID 86286685) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-hydroxy-N-(1H-indol-2-ylmethyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-hydroxy-N-(1H-indol-2-ylmethyl)-4-methylpentanamide
PubChem CID86286685
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-hydroxy-N-(1H-indol-2-ylmethyl)-4-methylpentanamide
SMILESCC(C)CC(O)C(=O)NCc1cc2ccccc2[nH]1
InChIInChI=1S/C15H20N2O2/c1-10(2)7-14(18)15(19)16-9-12-8-11-5-3-4-6-13(11)17-12/h3-6,8,10,14,17-18H,7,9H2,1-2H3,(H,16,19)
InChIKeyDUGLKNQGWQOQIQ-UHFFFAOYSA-N
XLogP2.19
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-2-ylmethyl)acetamide
CID 66552376
(2S)-2-amino-N-(1H-indol-2-ylmethyl)-3,3-dimethylbutanamide
CID 90653128
1H-indol-2-ylmethylcarbamic acid
CID 68691362
(2S)-N-(1H-indol-2-ylmethyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 95151014
(3S)-3-amino-4-(1H-indol-2-ylmethylamino)-4-oxobutanoic acid
CID 69296115
(2S)-N-benzyl-2-hydroxy-4-methylpentanamide
CID 10822877
3-[2-(1H-indol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 122065768
1-(2-hydroxy-2,5-dimethylhexyl)-3-(1H-indol-2-ylmethyl)urea
CID 111454969
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea
CID 60603738
2-acetamido-3-(1H-indol-3-yl)-N-(1H-indol-2-ylmethyl)propanamide
CID 47086404
3-(1H-indol-2-yl)-2-methylpropanoic acid
CID 22476899
1-(1H-indol-2-ylmethyl)-2,3-dimethylguanidine
CID 47091801

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(1H-indol-2-ylmethyl)-4-methylpentanamide?
The IUPAC name of 2-hydroxy-N-(1H-indol-2-ylmethyl)-4-methylpentanamide (CID 86286685) is 2-hydroxy-N-(1H-indol-2-ylmethyl)-4-methylpentanamide.
What is the SMILES notation for 2-hydroxy-N-(1H-indol-2-ylmethyl)-4-methylpentanamide?
The canonical SMILES for 2-hydroxy-N-(1H-indol-2-ylmethyl)-4-methylpentanamide is CC(C)CC(O)C(=O)NCc1cc2ccccc2[nH]1.
What is the InChIKey of 2-hydroxy-N-(1H-indol-2-ylmethyl)-4-methylpentanamide?
The InChIKey is DUGLKNQGWQOQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)7-14(18)15(19)16-9-12-8-11-5-3-4-6-13(11)17-12/h3-6,8,10,14,17-18H,7,9H2,1-2H3,(H,16,19).
What are the key properties of 2-hydroxy-N-(1H-indol-2-ylmethyl)-4-methylpentanamide?
2-hydroxy-N-(1H-indol-2-ylmethyl)-4-methylpentanamide has a molecular weight of 260.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(1H-indol-2-ylmethyl)-4-methylpentanamide is sourced from PubChem (CID 86286685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).