N-[(2S)-2-hydroxypropyl]-3-(2-phenylacetyl)-1H-indole-6-carboxamide

C20H20N2O3 — CID 139422991

IUPACN-[(2S)-2-hydroxypropyl]-3-(2-phenylacetyl)-1H-indole-6-carboxamide
SMILESC[C@H](O)CNC(=O)c1ccc2c(C(=O)Cc3ccccc3)c[nH]c2c1
InChIInChI=1S/C20H20N2O3/c1-13(23)11-22-20(25)15-7-8-16-17(12-21-18(16)10-15)19(24)9-14-5-3-2-4-6-14/h2-8,10,12-13,21,23H,9,11H2,1H3,(H,22,25)/t13-/m0/s1
InChIKeyVMYJRXYOOZGVSB-ZDUSSCGKSA-N
MW336.39 g/mol
LogP2.70
Rot. Bonds6

About N-[(2S)-2-hydroxypropyl]-3-(2-phenylacetyl)-1H-indole-6-carboxamide

N-[(2S)-2-hydroxypropyl]-3-(2-phenylacetyl)-1H-indole-6-carboxamide (PubChem CID 139422991) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-3-(2-phenylacetyl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-3-(2-phenylacetyl)-1H-indole-6-carboxamide
PubChem CID139422991
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[(2S)-2-hydroxypropyl]-3-(2-phenylacetyl)-1H-indole-6-carboxamide
SMILESC[C@H](O)CNC(=O)c1ccc2c(C(=O)Cc3ccccc3)c[nH]c2c1
InChIInChI=1S/C20H20N2O3/c1-13(23)11-22-20(25)15-7-8-16-17(12-21-18(16)10-15)19(24)9-14-5-3-2-4-6-14/h2-8,10,12-13,21,23H,9,11H2,1H3,(H,22,25)/t13-/m0/s1
InChIKeyVMYJRXYOOZGVSB-ZDUSSCGKSA-N
XLogP2.70
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-hydroxypropyl]-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide
CID 160969332
1-(6-amino-1H-indol-3-yl)-2-phenylethanone
CID 57257325
N-(2-hydroxypropyl)-4-phenylbenzamide
CID 43391038
N-benzyl-6-chloro-N-propan-2-yl-1H-indole-3-carboxamide
CID 113206400
N-(2-amino-3-hydroxybutyl)-1H-indole-3-carboxamide
CID 64540806
N-(2-hydroxy-3-methylbutyl)-1H-indole-3-carboxamide
CID 113268799
1-(1H-indol-3-yl)-2-(3-methylphenyl)ethanone
CID 588980
1-(6-chloro-1H-indol-3-yl)-2-(3-chlorophenyl)ethanone
CID 63492171
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
3,4-dihydroxy-N-(2-hydroxypropyl)benzamide
CID 103955565
N-(4-hydroxy-2-methylbutyl)-1H-indole-3-carboxamide
CID 66109223
6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide
CID 61091496

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-3-(2-phenylacetyl)-1H-indole-6-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-3-(2-phenylacetyl)-1H-indole-6-carboxamide (CID 139422991) is N-[(2S)-2-hydroxypropyl]-3-(2-phenylacetyl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-3-(2-phenylacetyl)-1H-indole-6-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-3-(2-phenylacetyl)-1H-indole-6-carboxamide is C[C@H](O)CNC(=O)c1ccc2c(C(=O)Cc3ccccc3)c[nH]c2c1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-3-(2-phenylacetyl)-1H-indole-6-carboxamide?
The InChIKey is VMYJRXYOOZGVSB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13(23)11-22-20(25)15-7-8-16-17(12-21-18(16)10-15)19(24)9-14-5-3-2-4-6-14/h2-8,10,12-13,21,23H,9,11H2,1H3,(H,22,25)/t13-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-3-(2-phenylacetyl)-1H-indole-6-carboxamide?
N-[(2S)-2-hydroxypropyl]-3-(2-phenylacetyl)-1H-indole-6-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-3-(2-phenylacetyl)-1H-indole-6-carboxamide is sourced from PubChem (CID 139422991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).