methyl 5-(furan-2-yl)-1-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]pyrrole-2-carboxylate

C19H25N3O5 — CID 22522130

IUPACmethyl 5-(furan-2-yl)-1-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccco2)n1CC(=O)NCCCN1CCOCC1
InChIInChI=1S/C19H25N3O5/c1-25-19(24)16-6-5-15(17-4-2-11-27-17)22(16)14-18(23)20-7-3-8-21-9-12-26-13-10-21/h2,4-6,11H,3,7-10,12-14H2,1H3,(H,20,23)
InChIKeyGKWOOKCIAXIDRD-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.37
Rot. Bonds8

About methyl 5-(furan-2-yl)-1-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]pyrrole-2-carboxylate

methyl 5-(furan-2-yl)-1-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]pyrrole-2-carboxylate (PubChem CID 22522130) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is methyl 5-(furan-2-yl)-1-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(furan-2-yl)-1-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]pyrrole-2-carboxylate
PubChem CID22522130
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Namemethyl 5-(furan-2-yl)-1-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccco2)n1CC(=O)NCCCN1CCOCC1
InChIInChI=1S/C19H25N3O5/c1-25-19(24)16-6-5-15(17-4-2-11-27-17)22(16)14-18(23)20-7-3-8-21-9-12-26-13-10-21/h2,4-6,11H,3,7-10,12-14H2,1H3,(H,20,23)
InChIKeyGKWOOKCIAXIDRD-UHFFFAOYSA-N
XLogP1.37
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(furan-2-yl)-1-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]pyrrole-2-carboxylate?
The IUPAC name of methyl 5-(furan-2-yl)-1-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]pyrrole-2-carboxylate (CID 22522130) is methyl 5-(furan-2-yl)-1-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-(furan-2-yl)-1-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]pyrrole-2-carboxylate?
The canonical SMILES for methyl 5-(furan-2-yl)-1-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]pyrrole-2-carboxylate is COC(=O)c1ccc(-c2ccco2)n1CC(=O)NCCCN1CCOCC1.
What is the InChIKey of methyl 5-(furan-2-yl)-1-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]pyrrole-2-carboxylate?
The InChIKey is GKWOOKCIAXIDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-25-19(24)16-6-5-15(17-4-2-11-27-17)22(16)14-18(23)20-7-3-8-21-9-12-26-13-10-21/h2,4-6,11H,3,7-10,12-14H2,1H3,(H,20,23).
What are the key properties of methyl 5-(furan-2-yl)-1-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]pyrrole-2-carboxylate?
methyl 5-(furan-2-yl)-1-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]pyrrole-2-carboxylate has a molecular weight of 375.43 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(furan-2-yl)-1-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]pyrrole-2-carboxylate is sourced from PubChem (CID 22522130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).