N-tert-butyl-2-[3-[1-(ethylamino)propyl]pyrrol-1-yl]acetamide

C15H27N3O — CID 79105788

IUPACN-tert-butyl-2-[3-[1-(ethylamino)propyl]pyrrol-1-yl]acetamide
SMILESCCNC(CC)c1ccn(CC(=O)NC(C)(C)C)c1
InChIInChI=1S/C15H27N3O/c1-6-13(16-7-2)12-8-9-18(10-12)11-14(19)17-15(3,4)5/h8-10,13,16H,6-7,11H2,1-5H3,(H,17,19)
InChIKeyYAAYDULKKWQWPC-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.46
Rot. Bonds6

About N-tert-butyl-2-[3-[1-(ethylamino)propyl]pyrrol-1-yl]acetamide

N-tert-butyl-2-[3-[1-(ethylamino)propyl]pyrrol-1-yl]acetamide (PubChem CID 79105788) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-tert-butyl-2-[3-[1-(ethylamino)propyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-[1-(ethylamino)propyl]pyrrol-1-yl]acetamide
PubChem CID79105788
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-tert-butyl-2-[3-[1-(ethylamino)propyl]pyrrol-1-yl]acetamide
SMILESCCNC(CC)c1ccn(CC(=O)NC(C)(C)C)c1
InChIInChI=1S/C15H27N3O/c1-6-13(16-7-2)12-8-9-18(10-12)11-14(19)17-15(3,4)5/h8-10,13,16H,6-7,11H2,1-5H3,(H,17,19)
InChIKeyYAAYDULKKWQWPC-UHFFFAOYSA-N
XLogP2.46
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

N-(cyanomethyl)-2-[3-[1-(ethylamino)propyl]pyrrol-1-yl]acetamide
CID 79104810
4-[3-[1-(ethylamino)propyl]pyrrol-1-yl]-N-methylbutanamide
CID 79105157
N-butyl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79105170
2-[3-[1-(methylamino)propyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 79105506
N-(2-methylbutan-2-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79098481
N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
CID 66403930
N-ethyl-1-[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]propan-1-amine
CID 113326680
N-(cyanomethyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide
CID 79105228
ethyl 2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetate
CID 79105168
2-[3-[1-(methylamino)propyl]pyrrol-1-yl]-N-(3-methylbutyl)acetamide
CID 79105588
5-[3-[1-(ethylamino)propyl]pyrrol-1-yl]-2,2-dimethylpentanenitrile
CID 79105436
2-[3-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-(2-methylphenyl)acetamide
CID 79109003

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-[1-(ethylamino)propyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[3-[1-(ethylamino)propyl]pyrrol-1-yl]acetamide (CID 79105788) is N-tert-butyl-2-[3-[1-(ethylamino)propyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[3-[1-(ethylamino)propyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[3-[1-(ethylamino)propyl]pyrrol-1-yl]acetamide is CCNC(CC)c1ccn(CC(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-2-[3-[1-(ethylamino)propyl]pyrrol-1-yl]acetamide?
The InChIKey is YAAYDULKKWQWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-6-13(16-7-2)12-8-9-18(10-12)11-14(19)17-15(3,4)5/h8-10,13,16H,6-7,11H2,1-5H3,(H,17,19).
What are the key properties of N-tert-butyl-2-[3-[1-(ethylamino)propyl]pyrrol-1-yl]acetamide?
N-tert-butyl-2-[3-[1-(ethylamino)propyl]pyrrol-1-yl]acetamide has a molecular weight of 265.40 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-[1-(ethylamino)propyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 79105788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).