5-[1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbonyl]-1,5-diazacycloundecan-2-one

C19H31N3O3 — CID 110201387

IUPAC5-[1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbonyl]-1,5-diazacycloundecan-2-one
SMILESCOCCn1c(C)cc(C(=O)N2CCCCCCNC(=O)CC2)c1C
InChIInChI=1S/C19H31N3O3/c1-15-14-17(16(2)22(15)12-13-25-3)19(24)21-10-7-5-4-6-9-20-18(23)8-11-21/h14H,4-13H2,1-3H3,(H,20,23)
InChIKeyJNOYTXMSNXWHPN-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.27
Rot. Bonds4

About 5-[1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbonyl]-1,5-diazacycloundecan-2-one

5-[1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbonyl]-1,5-diazacycloundecan-2-one (PubChem CID 110201387) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 5-[1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbonyl]-1,5-diazacycloundecan-2-one.

Molecular Properties

Compound Name5-[1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbonyl]-1,5-diazacycloundecan-2-one
PubChem CID110201387
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name5-[1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbonyl]-1,5-diazacycloundecan-2-one
SMILESCOCCn1c(C)cc(C(=O)N2CCCCCCNC(=O)CC2)c1C
InChIInChI=1S/C19H31N3O3/c1-15-14-17(16(2)22(15)12-13-25-3)19(24)21-10-7-5-4-6-9-20-18(23)8-11-21/h14H,4-13H2,1-3H3,(H,20,23)
InChIKeyJNOYTXMSNXWHPN-UHFFFAOYSA-N
XLogP2.27
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbonyl]-1,5-diazacycloundecan-2-one?
The IUPAC name of 5-[1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbonyl]-1,5-diazacycloundecan-2-one (CID 110201387) is 5-[1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbonyl]-1,5-diazacycloundecan-2-one.
What is the SMILES notation for 5-[1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbonyl]-1,5-diazacycloundecan-2-one?
The canonical SMILES for 5-[1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbonyl]-1,5-diazacycloundecan-2-one is COCCn1c(C)cc(C(=O)N2CCCCCCNC(=O)CC2)c1C.
What is the InChIKey of 5-[1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbonyl]-1,5-diazacycloundecan-2-one?
The InChIKey is JNOYTXMSNXWHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-15-14-17(16(2)22(15)12-13-25-3)19(24)21-10-7-5-4-6-9-20-18(23)8-11-21/h14H,4-13H2,1-3H3,(H,20,23).
What are the key properties of 5-[1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbonyl]-1,5-diazacycloundecan-2-one?
5-[1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbonyl]-1,5-diazacycloundecan-2-one has a molecular weight of 349.48 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carbonyl]-1,5-diazacycloundecan-2-one is sourced from PubChem (CID 110201387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).