1-[2-[4-[(dimethylamino)methyl]phenoxy]ethyl]-2-hydroxyindole-6-carboxamide

C20H23N3O3 — CID 68639397

IUPAC1-[2-[4-[(dimethylamino)methyl]phenoxy]ethyl]-2-hydroxyindole-6-carboxamide
SMILESCN(C)Cc1ccc(OCCn2c(O)cc3ccc(C(N)=O)cc32)cc1
InChIInChI=1S/C20H23N3O3/c1-22(2)13-14-3-7-17(8-4-14)26-10-9-23-18-11-16(20(21)25)6-5-15(18)12-19(23)24/h3-8,11-12,24H,9-10,13H2,1-2H3,(H2,21,25)
InChIKeyCVEGRIQJFWSUQB-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.59
Rot. Bonds7

About 1-[2-[4-[(dimethylamino)methyl]phenoxy]ethyl]-2-hydroxyindole-6-carboxamide

1-[2-[4-[(dimethylamino)methyl]phenoxy]ethyl]-2-hydroxyindole-6-carboxamide (PubChem CID 68639397) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-[2-[4-[(dimethylamino)methyl]phenoxy]ethyl]-2-hydroxyindole-6-carboxamide.

Molecular Properties

Compound Name1-[2-[4-[(dimethylamino)methyl]phenoxy]ethyl]-2-hydroxyindole-6-carboxamide
PubChem CID68639397
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-[2-[4-[(dimethylamino)methyl]phenoxy]ethyl]-2-hydroxyindole-6-carboxamide
SMILESCN(C)Cc1ccc(OCCn2c(O)cc3ccc(C(N)=O)cc32)cc1
InChIInChI=1S/C20H23N3O3/c1-22(2)13-14-3-7-17(8-4-14)26-10-9-23-18-11-16(20(21)25)6-5-15(18)12-19(23)24/h3-8,11-12,24H,9-10,13H2,1-2H3,(H2,21,25)
InChIKeyCVEGRIQJFWSUQB-UHFFFAOYSA-N
XLogP2.59
TPSA80.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(dimethylamino)methyl]phenoxy]ethyl]-2-hydroxyindole-6-carboxamide?
The IUPAC name of 1-[2-[4-[(dimethylamino)methyl]phenoxy]ethyl]-2-hydroxyindole-6-carboxamide (CID 68639397) is 1-[2-[4-[(dimethylamino)methyl]phenoxy]ethyl]-2-hydroxyindole-6-carboxamide.
What is the SMILES notation for 1-[2-[4-[(dimethylamino)methyl]phenoxy]ethyl]-2-hydroxyindole-6-carboxamide?
The canonical SMILES for 1-[2-[4-[(dimethylamino)methyl]phenoxy]ethyl]-2-hydroxyindole-6-carboxamide is CN(C)Cc1ccc(OCCn2c(O)cc3ccc(C(N)=O)cc32)cc1.
What is the InChIKey of 1-[2-[4-[(dimethylamino)methyl]phenoxy]ethyl]-2-hydroxyindole-6-carboxamide?
The InChIKey is CVEGRIQJFWSUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-22(2)13-14-3-7-17(8-4-14)26-10-9-23-18-11-16(20(21)25)6-5-15(18)12-19(23)24/h3-8,11-12,24H,9-10,13H2,1-2H3,(H2,21,25).
What are the key properties of 1-[2-[4-[(dimethylamino)methyl]phenoxy]ethyl]-2-hydroxyindole-6-carboxamide?
1-[2-[4-[(dimethylamino)methyl]phenoxy]ethyl]-2-hydroxyindole-6-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(dimethylamino)methyl]phenoxy]ethyl]-2-hydroxyindole-6-carboxamide is sourced from PubChem (CID 68639397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).