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

C15H21N3O2 — CID 64539569

IUPACN-(2-amino-3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
SMILESCC(O)C(N)CNC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C15H21N3O2/c1-10(19)13(16)9-18-15(20)7-6-11-8-17-14-5-3-2-4-12(11)14/h2-5,8,10,13,17,19H,6-7,9,16H2,1H3,(H,18,20)
InChIKeyUIPBSICACYTKDQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.92
Rot. Bonds6

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

N-(2-amino-3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 64539569) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
PubChem CID64539569
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(2-amino-3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
SMILESCC(O)C(N)CNC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C15H21N3O2/c1-10(19)13(16)9-18-15(20)7-6-11-8-17-14-5-3-2-4-12(11)14/h2-5,8,10,13,17,19H,6-7,9,16H2,1H3,(H,18,20)
InChIKeyUIPBSICACYTKDQ-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

3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)propyl]propanamide
CID 70207021
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
N-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide
CID 64540806
N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide
CID 64597246
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(1H-indol-3-yl)propanamide
CID 110889323
3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide
CID 43582891
3-(1H-indol-3-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95604374
N-(2-cyclopropylpropyl)-4-(1H-indol-3-yl)butanamide
CID 115591193
N-(3-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 115884530
3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 17473957

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide (CID 64539569) is N-(2-amino-3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide is CC(O)C(N)CNC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is UIPBSICACYTKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(19)13(16)9-18-15(20)7-6-11-8-17-14-5-3-2-4-12(11)14/h2-5,8,10,13,17,19H,6-7,9,16H2,1H3,(H,18,20).
What are the key properties of N-(2-amino-3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide?
N-(2-amino-3-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 N-(2-amino-3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 64539569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).