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

C17H31N3O — CID 79108845

IUPACN-butan-2-yl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide
SMILESCCCNC(c1ccn(CC(=O)NC(C)CC)c1)C(C)C
InChIInChI=1S/C17H31N3O/c1-6-9-18-17(13(3)4)15-8-10-20(11-15)12-16(21)19-14(5)7-2/h8,10-11,13-14,17-18H,6-7,9,12H2,1-5H3,(H,19,21)
InChIKeyAMARKHNPQLHYNQ-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.10
Rot. Bonds9

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

N-butan-2-yl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide (PubChem CID 79108845) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-butan-2-yl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide
PubChem CID79108845
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-butan-2-yl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide
SMILESCCCNC(c1ccn(CC(=O)NC(C)CC)c1)C(C)C
InChIInChI=1S/C17H31N3O/c1-6-9-18-17(13(3)4)15-8-10-20(11-15)12-16(21)19-14(5)7-2/h8,10-11,13-14,17-18H,6-7,9,12H2,1-5H3,(H,19,21)
InChIKeyAMARKHNPQLHYNQ-UHFFFAOYSA-N
XLogP3.10
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-methyl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79097566
N-(1-methoxypropan-2-yl)-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79109807
1-(1-hexylpyrrol-3-yl)-2-methyl-N-propylpropan-1-amine
CID 79097646
N-(1-methoxypropan-2-yl)-2-[3-[2-methyl-1-(methylamino)propyl]pyrrol-1-yl]acetamide
CID 79097898
1-[1-(ethoxymethyl)pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine
CID 79097651
2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 79109116
2-methyl-N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]propan-1-amine
CID 106717790
N-butan-2-yl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79101776
N-(2-methylbutan-2-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79098481
N-butyl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79105170
2-[3-(1-aminopropyl)pyrrol-1-yl]-N-propan-2-ylacetamide
CID 79104950
N-cyclopentyl-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79099453

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide (CID 79108845) is N-butan-2-yl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide is CCCNC(c1ccn(CC(=O)NC(C)CC)c1)C(C)C.
What is the InChIKey of N-butan-2-yl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide?
The InChIKey is AMARKHNPQLHYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-6-9-18-17(13(3)4)15-8-10-20(11-15)12-16(21)19-14(5)7-2/h8,10-11,13-14,17-18H,6-7,9,12H2,1-5H3,(H,19,21).
What are the key properties of N-butan-2-yl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide?
N-butan-2-yl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide has a molecular weight of 293.45 g/mol, XLogP of 3.10, 9 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-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 79108845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).