2-amino-N-(2-hydroxyethyl)-3-[1-(4-phenoxyphenyl)indol-3-yl]propanamide

C25H25N3O3 — CID 54767994

IUPAC2-amino-N-(2-hydroxyethyl)-3-[1-(4-phenoxyphenyl)indol-3-yl]propanamide
SMILESNC(Cc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12)C(=O)NCCO
InChIInChI=1S/C25H25N3O3/c26-23(25(30)27-14-15-29)16-18-17-28(24-9-5-4-8-22(18)24)19-10-12-21(13-11-19)31-20-6-2-1-3-7-20/h1-13,17,23,29H,14-16,26H2,(H,27,30)
InChIKeySUPWPONIXHHVGH-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.40
Rot. Bonds8

About 2-amino-N-(2-hydroxyethyl)-3-[1-(4-phenoxyphenyl)indol-3-yl]propanamide

2-amino-N-(2-hydroxyethyl)-3-[1-(4-phenoxyphenyl)indol-3-yl]propanamide (PubChem CID 54767994) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxyethyl)-3-[1-(4-phenoxyphenyl)indol-3-yl]propanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxyethyl)-3-[1-(4-phenoxyphenyl)indol-3-yl]propanamide
PubChem CID54767994
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name2-amino-N-(2-hydroxyethyl)-3-[1-(4-phenoxyphenyl)indol-3-yl]propanamide
SMILESNC(Cc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12)C(=O)NCCO
InChIInChI=1S/C25H25N3O3/c26-23(25(30)27-14-15-29)16-18-17-28(24-9-5-4-8-22(18)24)19-10-12-21(13-11-19)31-20-6-2-1-3-7-20/h1-13,17,23,29H,14-16,26H2,(H,27,30)
InChIKeySUPWPONIXHHVGH-UHFFFAOYSA-N
XLogP3.40
TPSA89.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxyethyl)-3-[1-(4-phenoxyphenyl)indol-3-yl]propanamide?
The IUPAC name of 2-amino-N-(2-hydroxyethyl)-3-[1-(4-phenoxyphenyl)indol-3-yl]propanamide (CID 54767994) is 2-amino-N-(2-hydroxyethyl)-3-[1-(4-phenoxyphenyl)indol-3-yl]propanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxyethyl)-3-[1-(4-phenoxyphenyl)indol-3-yl]propanamide?
The canonical SMILES for 2-amino-N-(2-hydroxyethyl)-3-[1-(4-phenoxyphenyl)indol-3-yl]propanamide is NC(Cc1cn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12)C(=O)NCCO.
What is the InChIKey of 2-amino-N-(2-hydroxyethyl)-3-[1-(4-phenoxyphenyl)indol-3-yl]propanamide?
The InChIKey is SUPWPONIXHHVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c26-23(25(30)27-14-15-29)16-18-17-28(24-9-5-4-8-22(18)24)19-10-12-21(13-11-19)31-20-6-2-1-3-7-20/h1-13,17,23,29H,14-16,26H2,(H,27,30).
What are the key properties of 2-amino-N-(2-hydroxyethyl)-3-[1-(4-phenoxyphenyl)indol-3-yl]propanamide?
2-amino-N-(2-hydroxyethyl)-3-[1-(4-phenoxyphenyl)indol-3-yl]propanamide has a molecular weight of 415.49 g/mol, XLogP of 3.40, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxyethyl)-3-[1-(4-phenoxyphenyl)indol-3-yl]propanamide is sourced from PubChem (CID 54767994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).