N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide

C13H16N2O2 — CID 39248120

IUPACN-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
SMILESC[C@H](O)CNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2O2/c1-9(16)7-15-13(17)6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8-9,14,16H,6-7H2,1H3,(H,15,17)/t9-/m0/s1
InChIKeyDWVWAHSQKDGXDB-VIFPVBQESA-N
MW232.28 g/mol
LogP1.21
Rot. Bonds4

About N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide

N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 39248120) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
PubChem CID39248120
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
SMILESC[C@H](O)CNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2O2/c1-9(16)7-15-13(17)6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8-9,14,16H,6-7H2,1H3,(H,15,17)/t9-/m0/s1
InChIKeyDWVWAHSQKDGXDB-VIFPVBQESA-N
XLogP1.21
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[2-(1H-indol-3-yl)acetyl]amino]methyl]-4-methylpentanoic acid
CID 119253373
N-[[4-[(1S)-1-hydroxyethyl]phenyl]methyl]-2-(1H-indol-3-yl)acetamide
CID 95308809
N-but-3-yn-2-yl-2-(1H-indol-3-yl)acetamide
CID 114389821
N-(2-hydroxypropyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872247
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
N-but-2-ynyl-2-(1H-indol-3-yl)acetamide;ethane
CID 143542035
(2S,3S)-3-hydroxy-2-[[2-(1H-indol-3-yl)acetyl]amino]butanoate
CID 7678364
N-(2-amino-3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 64539569
N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 3562962
N-(4,4-dimethylpent-2-ynyl)-2-(1H-indol-3-yl)acetamide
CID 58790355
methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 2539049
N-[3-[acetyl(propan-2-yl)amino]propyl]-2-(1H-indol-3-yl)acetamide
CID 47042094

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide (CID 39248120) is N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide is C[C@H](O)CNC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is DWVWAHSQKDGXDB-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(16)7-15-13(17)6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8-9,14,16H,6-7H2,1H3,(H,15,17)/t9-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide?
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 232.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 39248120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).