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

C15H21N3O2 — CID 114350915

IUPAC2-amino-N-(2-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
SMILESCCC(O)CNC(=O)C(N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H21N3O2/c1-2-11(19)9-18-15(20)13(16)7-10-8-17-14-6-4-3-5-12(10)14/h3-6,8,11,13,17,19H,2,7,9,16H2,1H3,(H,18,20)
InChIKeyLHUMLCFBNIPNGO-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.92
Rot. Bonds6

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

2-amino-N-(2-hydroxybutyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 114350915) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxybutyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
PubChem CID114350915
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-amino-N-(2-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
SMILESCCC(O)CNC(=O)C(N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H21N3O2/c1-2-11(19)9-18-15(20)13(16)7-10-8-17-14-6-4-3-5-12(10)14/h3-6,8,11,13,17,19H,2,7,9,16H2,1H3,(H,18,20)
InChIKeyLHUMLCFBNIPNGO-UHFFFAOYSA-N
XLogP0.92
TPSA91.14 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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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
(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 104910912
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxypropyl)propanamide
CID 102694962
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-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(1H-indol-3-yl)propanamide
CID 119958060
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956375
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methylprop-2-enyl)propanamide
CID 104940105
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 83324335
2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 107317776
5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid
CID 91013760

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxybutyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-amino-N-(2-hydroxybutyl)-3-(1H-indol-3-yl)propanamide (CID 114350915) is 2-amino-N-(2-hydroxybutyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxybutyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-amino-N-(2-hydroxybutyl)-3-(1H-indol-3-yl)propanamide is CCC(O)CNC(=O)C(N)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-amino-N-(2-hydroxybutyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is LHUMLCFBNIPNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-11(19)9-18-15(20)13(16)7-10-8-17-14-6-4-3-5-12(10)14/h3-6,8,11,13,17,19H,2,7,9,16H2,1H3,(H,18,20).
What are the key properties of 2-amino-N-(2-hydroxybutyl)-3-(1H-indol-3-yl)propanamide?
2-amino-N-(2-hydroxybutyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 275.35 g/mol, XLogP of 0.92, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxybutyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 114350915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).