N-[2-[2-[2-hydroxy-3-(4-hydroxyphenoxy)propyl]pyrrol-2-yl]ethyl]morpholine-4-carboxamide

C20H27N3O5 — CID 57264354

IUPACN-[2-[2-[2-hydroxy-3-(4-hydroxyphenoxy)propyl]pyrrol-2-yl]ethyl]morpholine-4-carboxamide
SMILESO=C(NCCC1(CC(O)COc2ccc(O)cc2)C=CC=N1)N1CCOCC1
InChIInChI=1S/C20H27N3O5/c24-16-2-4-18(5-3-16)28-15-17(25)14-20(6-1-8-22-20)7-9-21-19(26)23-10-12-27-13-11-23/h1-6,8,17,24-25H,7,9-15H2,(H,21,26)
InChIKeyUBJMHIYJNSERIZ-UHFFFAOYSA-N
MW389.45 g/mol
LogP1.33
Rot. Bonds8

About N-[2-[2-[2-hydroxy-3-(4-hydroxyphenoxy)propyl]pyrrol-2-yl]ethyl]morpholine-4-carboxamide

N-[2-[2-[2-hydroxy-3-(4-hydroxyphenoxy)propyl]pyrrol-2-yl]ethyl]morpholine-4-carboxamide (PubChem CID 57264354) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[2-[2-[2-hydroxy-3-(4-hydroxyphenoxy)propyl]pyrrol-2-yl]ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-hydroxy-3-(4-hydroxyphenoxy)propyl]pyrrol-2-yl]ethyl]morpholine-4-carboxamide
PubChem CID57264354
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC NameN-[2-[2-[2-hydroxy-3-(4-hydroxyphenoxy)propyl]pyrrol-2-yl]ethyl]morpholine-4-carboxamide
SMILESO=C(NCCC1(CC(O)COc2ccc(O)cc2)C=CC=N1)N1CCOCC1
InChIInChI=1S/C20H27N3O5/c24-16-2-4-18(5-3-16)28-15-17(25)14-20(6-1-8-22-20)7-9-21-19(26)23-10-12-27-13-11-23/h1-6,8,17,24-25H,7,9-15H2,(H,21,26)
InChIKeyUBJMHIYJNSERIZ-UHFFFAOYSA-N
XLogP1.33
TPSA103.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-hydroxy-3-(4-hydroxyphenoxy)propyl]pyrrol-2-yl]ethyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-[2-[2-hydroxy-3-(4-hydroxyphenoxy)propyl]pyrrol-2-yl]ethyl]morpholine-4-carboxamide (CID 57264354) is N-[2-[2-[2-hydroxy-3-(4-hydroxyphenoxy)propyl]pyrrol-2-yl]ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-[2-[2-hydroxy-3-(4-hydroxyphenoxy)propyl]pyrrol-2-yl]ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-[2-[2-hydroxy-3-(4-hydroxyphenoxy)propyl]pyrrol-2-yl]ethyl]morpholine-4-carboxamide is O=C(NCCC1(CC(O)COc2ccc(O)cc2)C=CC=N1)N1CCOCC1.
What is the InChIKey of N-[2-[2-[2-hydroxy-3-(4-hydroxyphenoxy)propyl]pyrrol-2-yl]ethyl]morpholine-4-carboxamide?
The InChIKey is UBJMHIYJNSERIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c24-16-2-4-18(5-3-16)28-15-17(25)14-20(6-1-8-22-20)7-9-21-19(26)23-10-12-27-13-11-23/h1-6,8,17,24-25H,7,9-15H2,(H,21,26).
What are the key properties of N-[2-[2-[2-hydroxy-3-(4-hydroxyphenoxy)propyl]pyrrol-2-yl]ethyl]morpholine-4-carboxamide?
N-[2-[2-[2-hydroxy-3-(4-hydroxyphenoxy)propyl]pyrrol-2-yl]ethyl]morpholine-4-carboxamide has a molecular weight of 389.45 g/mol, XLogP of 1.33, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-hydroxy-3-(4-hydroxyphenoxy)propyl]pyrrol-2-yl]ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 57264354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).