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

C16H29N3O — CID 79098481

IUPACN-(2-methylbutan-2-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
SMILESCCCNC(C)c1ccn(CC(=O)NC(C)(C)CC)c1
InChIInChI=1S/C16H29N3O/c1-6-9-17-13(3)14-8-10-19(11-14)12-15(20)18-16(4,5)7-2/h8,10-11,13,17H,6-7,9,12H2,1-5H3,(H,18,20)
InChIKeyXBZSNXWSDAQJDZ-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.85
Rot. Bonds8

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

N-(2-methylbutan-2-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide (PubChem CID 79098481) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
PubChem CID79098481
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-(2-methylbutan-2-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
SMILESCCCNC(C)c1ccn(CC(=O)NC(C)(C)CC)c1
InChIInChI=1S/C16H29N3O/c1-6-9-17-13(3)14-8-10-19(11-14)12-15(20)18-16(4,5)7-2/h8,10-11,13,17H,6-7,9,12H2,1-5H3,(H,18,20)
InChIKeyXBZSNXWSDAQJDZ-UHFFFAOYSA-N
XLogP2.85
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide (CID 79098481) is N-(2-methylbutan-2-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide is CCCNC(C)c1ccn(CC(=O)NC(C)(C)CC)c1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide?
The InChIKey is XBZSNXWSDAQJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-6-9-17-13(3)14-8-10-19(11-14)12-15(20)18-16(4,5)7-2/h8,10-11,13,17H,6-7,9,12H2,1-5H3,(H,18,20).
What are the key properties of N-(2-methylbutan-2-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide?
N-(2-methylbutan-2-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide has a molecular weight of 279.43 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 79098481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).