2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide

C16H23N3O2 — CID 107317776

IUPAC2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
SMILESNC(Cc1c[nH]c2ccccc12)C(=O)NCCCCCO
InChIInChI=1S/C16H23N3O2/c17-14(16(21)18-8-4-1-5-9-20)10-12-11-19-15-7-3-2-6-13(12)15/h2-3,6-7,11,14,19-20H,1,4-5,8-10,17H2,(H,18,21)
InChIKeyOHSFXFVVQLTAEA-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.32
Rot. Bonds8

About 2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide

2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 107317776) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
PubChem CID107317776
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
SMILESNC(Cc1c[nH]c2ccccc12)C(=O)NCCCCCO
InChIInChI=1S/C16H23N3O2/c17-14(16(21)18-8-4-1-5-9-20)10-12-11-19-15-7-3-2-6-13(12)15/h2-3,6-7,11,14,19-20H,1,4-5,8-10,17H2,(H,18,21)
InChIKeyOHSFXFVVQLTAEA-UHFFFAOYSA-N
XLogP1.32
TPSA91.14 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid
CID 91013760
2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 75973820
(2S)-2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 106134610
2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 106134655
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylsulfinylpropyl)propanamide
CID 103827627
(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 104910912
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 83324335
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956375
(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 119956073
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methylsulfonylethyl)propanamide
CID 61178850
2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3-(1H-indol-3-yl)propanamide
CID 114350846

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide (CID 107317776) is 2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide is NC(Cc1c[nH]c2ccccc12)C(=O)NCCCCCO.
What is the InChIKey of 2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is OHSFXFVVQLTAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-14(16(21)18-8-4-1-5-9-20)10-12-11-19-15-7-3-2-6-13(12)15/h2-3,6-7,11,14,19-20H,1,4-5,8-10,17H2,(H,18,21).
What are the key properties of 2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide?
2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 289.38 g/mol, XLogP of 1.32, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 107317776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).