N-(1-methoxypropan-2-yl)-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide

C16H29N3O2 — CID 79109807

IUPACN-(1-methoxypropan-2-yl)-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide
SMILESCCCNC(CC)c1ccn(CC(=O)NC(C)COC)c1
InChIInChI=1S/C16H29N3O2/c1-5-8-17-15(6-2)14-7-9-19(10-14)11-16(20)18-13(3)12-21-4/h7,9-10,13,15,17H,5-6,8,11-12H2,1-4H3,(H,18,20)
InChIKeyITPLSAZGECMZOI-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.09
Rot. Bonds10

About N-(1-methoxypropan-2-yl)-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide

N-(1-methoxypropan-2-yl)-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide (PubChem CID 79109807) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide
PubChem CID79109807
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-(1-methoxypropan-2-yl)-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide
SMILESCCCNC(CC)c1ccn(CC(=O)NC(C)COC)c1
InChIInChI=1S/C16H29N3O2/c1-5-8-17-15(6-2)14-7-9-19(10-14)11-16(20)18-13(3)12-21-4/h7,9-10,13,15,17H,5-6,8,11-12H2,1-4H3,(H,18,20)
InChIKeyITPLSAZGECMZOI-UHFFFAOYSA-N
XLogP2.09
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79105170
N-(1-methoxypropan-2-yl)-2-[3-[2-methyl-1-(methylamino)propyl]pyrrol-1-yl]acetamide
CID 79097898
N-butan-2-yl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79108845
ethyl 2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetate
CID 79105168
butyl 2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetate
CID 79105259
N-(3-methoxypropyl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79098591
2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 79109116
1-morpholin-4-yl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethanone
CID 79109647
1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104740
N-tert-butyl-2-[3-[1-(ethylamino)propyl]pyrrol-1-yl]acetamide
CID 79105788
1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 112591101
N-(cyanomethyl)-2-[3-[1-(ethylamino)propyl]pyrrol-1-yl]acetamide
CID 79104810

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide (CID 79109807) is N-(1-methoxypropan-2-yl)-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide is CCCNC(CC)c1ccn(CC(=O)NC(C)COC)c1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide?
The InChIKey is ITPLSAZGECMZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-5-8-17-15(6-2)14-7-9-19(10-14)11-16(20)18-13(3)12-21-4/h7,9-10,13,15,17H,5-6,8,11-12H2,1-4H3,(H,18,20).
What are the key properties of N-(1-methoxypropan-2-yl)-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide?
N-(1-methoxypropan-2-yl)-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide has a molecular weight of 295.43 g/mol, XLogP of 2.09, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 79109807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).