N-(oxan-4-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide

C16H27N3O2 — CID 79109161

IUPACN-(oxan-4-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
SMILESCCCNC(C)c1ccn(CC(=O)NC2CCOCC2)c1
InChIInChI=1S/C16H27N3O2/c1-3-7-17-13(2)14-4-8-19(11-14)12-16(20)18-15-5-9-21-10-6-15/h4,8,11,13,15,17H,3,5-7,9-10,12H2,1-2H3,(H,18,20)
InChIKeyCEFPVSOBRPQKQS-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.84
Rot. Bonds7

About N-(oxan-4-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide

N-(oxan-4-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide (PubChem CID 79109161) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
PubChem CID79109161
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-(oxan-4-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
SMILESCCCNC(C)c1ccn(CC(=O)NC2CCOCC2)c1
InChIInChI=1S/C16H27N3O2/c1-3-7-17-13(2)14-4-8-19(11-14)12-16(20)18-15-5-9-21-10-6-15/h4,8,11,13,15,17H,3,5-7,9-10,12H2,1-2H3,(H,18,20)
InChIKeyCEFPVSOBRPQKQS-UHFFFAOYSA-N
XLogP1.84
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-(oxan-4-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide (CID 79109161) is N-(oxan-4-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-(oxan-4-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide is CCCNC(C)c1ccn(CC(=O)NC2CCOCC2)c1.
What is the InChIKey of N-(oxan-4-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide?
The InChIKey is CEFPVSOBRPQKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-7-17-13(2)14-4-8-19(11-14)12-16(20)18-15-5-9-21-10-6-15/h4,8,11,13,15,17H,3,5-7,9-10,12H2,1-2H3,(H,18,20).
What are the key properties of N-(oxan-4-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide?
N-(oxan-4-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide has a molecular weight of 293.41 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 79109161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).