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

C16H29N3O — CID 79105170

IUPACN-butyl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide
SMILESCCCCNC(=O)Cn1ccc(C(CC)NCCC)c1
InChIInChI=1S/C16H29N3O/c1-4-7-10-18-16(20)13-19-11-8-14(12-19)15(6-3)17-9-5-2/h8,11-12,15,17H,4-7,9-10,13H2,1-3H3,(H,18,20)
InChIKeySGPZSDMHKMBSGH-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.86
Rot. Bonds10

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

N-butyl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide (PubChem CID 79105170) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-butyl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide
PubChem CID79105170
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-butyl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide
SMILESCCCCNC(=O)Cn1ccc(C(CC)NCCC)c1
InChIInChI=1S/C16H29N3O/c1-4-7-10-18-16(20)13-19-11-8-14(12-19)15(6-3)17-9-5-2/h8,11-12,15,17H,4-7,9-10,13H2,1-3H3,(H,18,20)
InChIKeySGPZSDMHKMBSGH-UHFFFAOYSA-N
XLogP2.86
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetate
CID 79105259
ethyl 2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetate
CID 79105168
N-(1-methoxypropan-2-yl)-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79109807
N-(3-methoxypropyl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79098591
1-[2-(butylamino)-2-oxoethyl]pyrrole-3-carboxylic acid
CID 79103342
N-(cyanomethyl)-2-[3-[1-(ethylamino)propyl]pyrrol-1-yl]acetamide
CID 79104810
2-[3-[1-(methylamino)propyl]pyrrol-1-yl]-N-(3-methylbutyl)acetamide
CID 79105588
1-morpholin-4-yl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethanone
CID 79109647
N-butyl-2-(3-formylpyrrol-1-yl)acetamide
CID 66409664
N-tert-butyl-2-[3-[1-(ethylamino)propyl]pyrrol-1-yl]acetamide
CID 79105788
N-butyl-2-(4-oxo-1-pyridinyl)acetamide
CID 116622191
1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104740

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-butyl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide (CID 79105170) is N-butyl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide is CCCCNC(=O)Cn1ccc(C(CC)NCCC)c1.
What is the InChIKey of N-butyl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide?
The InChIKey is SGPZSDMHKMBSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-7-10-18-16(20)13-19-11-8-14(12-19)15(6-3)17-9-5-2/h8,11-12,15,17H,4-7,9-10,13H2,1-3H3,(H,18,20).
What are the key properties of N-butyl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide?
N-butyl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide has a molecular weight of 279.43 g/mol, XLogP of 2.86, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 79105170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).