2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3-(1H-indol-3-yl)propanamide

C16H23N3O2 — CID 114350846

IUPAC2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3-(1H-indol-3-yl)propanamide
SMILESCC(C)(CO)CNC(=O)C(N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H23N3O2/c1-16(2,10-20)9-19-15(21)13(17)7-11-8-18-14-6-4-3-5-12(11)14/h3-6,8,13,18,20H,7,9-10,17H2,1-2H3,(H,19,21)
InChIKeyNURABIFIRXUVAE-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.17
Rot. Bonds6

About 2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3-(1H-indol-3-yl)propanamide

2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 114350846) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3-(1H-indol-3-yl)propanamide
PubChem CID114350846
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3-(1H-indol-3-yl)propanamide
SMILESCC(C)(CO)CNC(=O)C(N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H23N3O2/c1-16(2,10-20)9-19-15(21)13(17)7-11-8-18-14-6-4-3-5-12(11)14/h3-6,8,13,18,20H,7,9-10,17H2,1-2H3,(H,19,21)
InChIKeyNURABIFIRXUVAE-UHFFFAOYSA-N
XLogP1.17
TPSA91.14 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)propanamide;hydrochloride
CID 119957472
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 107317776
(2S)-2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-(1H-indol-3-yl)propanamide
CID 119956154
(2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 64550351
methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetate;hydrochloride
CID 91978993
(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 104910912
2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 75973820
(2S)-2-amino-N-(3,3-dimethylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 103827503
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methylprop-2-enyl)propanamide
CID 104940105
(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-methoxyethyl)propanamide
CID 83324335

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3-(1H-indol-3-yl)propanamide (CID 114350846) is 2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3-(1H-indol-3-yl)propanamide is CC(C)(CO)CNC(=O)C(N)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is NURABIFIRXUVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2,10-20)9-19-15(21)13(17)7-11-8-18-14-6-4-3-5-12(11)14/h3-6,8,13,18,20H,7,9-10,17H2,1-2H3,(H,19,21).
What are the key properties of 2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3-(1H-indol-3-yl)propanamide?
2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 289.38 g/mol, XLogP of 1.17, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 114350846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).