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

C15H27N3O — CID 79101776

IUPACN-butan-2-yl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
SMILESCCCNC(C)c1cccn1CC(=O)NC(C)CC
InChIInChI=1S/C15H27N3O/c1-5-9-16-13(4)14-8-7-10-18(14)11-15(19)17-12(3)6-2/h7-8,10,12-13,16H,5-6,9,11H2,1-4H3,(H,17,19)
InChIKeyUESRINOSWOIKJN-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.46
Rot. Bonds8

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

N-butan-2-yl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide (PubChem CID 79101776) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-butan-2-yl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
PubChem CID79101776
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-butan-2-yl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
SMILESCCCNC(C)c1cccn1CC(=O)NC(C)CC
InChIInChI=1S/C15H27N3O/c1-5-9-16-13(4)14-8-7-10-18(14)11-15(19)17-12(3)6-2/h7-8,10,12-13,16H,5-6,9,11H2,1-4H3,(H,17,19)
InChIKeyUESRINOSWOIKJN-UHFFFAOYSA-N
XLogP2.46
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 79102365
N-butyl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79102774
2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 79102275
2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 79102465
N-butan-2-yl-2-(2-cyanopyrrol-1-yl)acetamide
CID 114652623
N-ethyl-3-[2-[1-(propylamino)ethyl]pyrrol-1-yl]propanamide
CID 79101682
N-[1-(1-decylpyrrol-2-yl)ethyl]propan-1-amine
CID 79108703
N-butan-2-yl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79108845
N-[1-[1-(2-methylpentyl)pyrrol-2-yl]ethyl]propan-1-amine
CID 79101774
N-[1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 82892118
1-[2-oxo-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]pyrrole-2-carboxylic acid
CID 79324616
N-pentan-2-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66401184

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide (CID 79101776) is N-butan-2-yl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide is CCCNC(C)c1cccn1CC(=O)NC(C)CC.
What is the InChIKey of N-butan-2-yl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide?
The InChIKey is UESRINOSWOIKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-9-16-13(4)14-8-7-10-18(14)11-15(19)17-12(3)6-2/h7-8,10,12-13,16H,5-6,9,11H2,1-4H3,(H,17,19).
What are the key properties of N-butan-2-yl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide?
N-butan-2-yl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide has a molecular weight of 265.40 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 79101776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).