N-butyl-2-(1-methylpyrrol-3-yl)acetamide

C11H18N2O — CID 110768899

IUPACN-butyl-2-(1-methylpyrrol-3-yl)acetamide
SMILESCCCCNC(=O)Cc1ccn(C)c1
InChIInChI=1S/C11H18N2O/c1-3-4-6-12-11(14)8-10-5-7-13(2)9-10/h5,7,9H,3-4,6,8H2,1-2H3,(H,12,14)
InChIKeyWVAXHLMUNNUJAP-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.48
Rot. Bonds5

About N-butyl-2-(1-methylpyrrol-3-yl)acetamide

N-butyl-2-(1-methylpyrrol-3-yl)acetamide (PubChem CID 110768899) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-butyl-2-(1-methylpyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(1-methylpyrrol-3-yl)acetamide
PubChem CID110768899
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-butyl-2-(1-methylpyrrol-3-yl)acetamide
SMILESCCCCNC(=O)Cc1ccn(C)c1
InChIInChI=1S/C11H18N2O/c1-3-4-6-12-11(14)8-10-5-7-13(2)9-10/h5,7,9H,3-4,6,8H2,1-2H3,(H,12,14)
InChIKeyWVAXHLMUNNUJAP-UHFFFAOYSA-N
XLogP1.48
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-methylpyrrole-3-carboxamide
CID 110762618
N-[(1-methylpyrrol-3-yl)methyl]pentanamide
CID 110782459
3-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide
CID 66397923
1-butyl-3-ethyl-2-[(1-methylpyrrol-3-yl)methyl]guanidine
CID 111966941
2-(1-methylpyrrol-3-yl)acetic acid
CID 26722643
2-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 110782492
N-butyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771261
2-(1-methylpyrazol-4-yl)-N-nonylacetamide
CID 60616599
N-(2-methoxyethyl)-3-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 112547870
2-(1-methylpyrrol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110768911
N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(1-methylpyrrol-3-yl)acetamide?
The IUPAC name of N-butyl-2-(1-methylpyrrol-3-yl)acetamide (CID 110768899) is N-butyl-2-(1-methylpyrrol-3-yl)acetamide.
What is the SMILES notation for N-butyl-2-(1-methylpyrrol-3-yl)acetamide?
The canonical SMILES for N-butyl-2-(1-methylpyrrol-3-yl)acetamide is CCCCNC(=O)Cc1ccn(C)c1.
What is the InChIKey of N-butyl-2-(1-methylpyrrol-3-yl)acetamide?
The InChIKey is WVAXHLMUNNUJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-4-6-12-11(14)8-10-5-7-13(2)9-10/h5,7,9H,3-4,6,8H2,1-2H3,(H,12,14).
What are the key properties of N-butyl-2-(1-methylpyrrol-3-yl)acetamide?
N-butyl-2-(1-methylpyrrol-3-yl)acetamide has a molecular weight of 194.28 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(1-methylpyrrol-3-yl)acetamide is sourced from PubChem (CID 110768899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).