N-(3-methylbutyl)-2-pyrrol-1-ylacetamide

C11H18N2O — CID 63809996

IUPACN-(3-methylbutyl)-2-pyrrol-1-ylacetamide
SMILESCC(C)CCNC(=O)Cn1cccc1
InChIInChI=1S/C11H18N2O/c1-10(2)5-6-12-11(14)9-13-7-3-4-8-13/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,12,14)
InChIKeyDFXGGIHPEYDDAK-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.65
Rot. Bonds5

About N-(3-methylbutyl)-2-pyrrol-1-ylacetamide

N-(3-methylbutyl)-2-pyrrol-1-ylacetamide (PubChem CID 63809996) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-pyrrol-1-ylacetamide
PubChem CID63809996
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-(3-methylbutyl)-2-pyrrol-1-ylacetamide
SMILESCC(C)CCNC(=O)Cn1cccc1
InChIInChI=1S/C11H18N2O/c1-10(2)5-6-12-11(14)9-13-7-3-4-8-13/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,12,14)
InChIKeyDFXGGIHPEYDDAK-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methoxypropyl)-2-pyrrol-1-ylacetamide
CID 63810814
2-[4,7-bis(carboxymethyl)-10-[2-(3-methylbutylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 144632166
2-[4-(hydroxymethyl)imidazol-1-yl]-N-(3-methylbutyl)acetamide
CID 106717474
1-[2-(3-methylbutylamino)-2-oxoethyl]imidazole-4-carboxylic acid
CID 106717107
2-[2-(methylaminomethyl)pyrrol-1-yl]-N-(3-methylbutyl)acetamide
CID 66402133
N-(3-methylbutyl)-2-(2-methylimidazol-1-yl)acetamide
CID 63811458
2-[3-[1-(methylamino)propyl]pyrrol-1-yl]-N-(3-methylbutyl)acetamide
CID 79105588
N-(3-methylbutyl)-2-(4-methylindol-1-yl)acetamide
CID 116620292
N-(3-methylbutyl)-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 106719405
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
N-(3-hydroxy-4-methylpentyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 111460901
2-[4-(carboxymethyl)-10-ethyl-7-[2-(3-methylbutylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 144632161

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-pyrrol-1-ylacetamide?
The IUPAC name of N-(3-methylbutyl)-2-pyrrol-1-ylacetamide (CID 63809996) is N-(3-methylbutyl)-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-(3-methylbutyl)-2-pyrrol-1-ylacetamide is CC(C)CCNC(=O)Cn1cccc1.
What is the InChIKey of N-(3-methylbutyl)-2-pyrrol-1-ylacetamide?
The InChIKey is DFXGGIHPEYDDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-10(2)5-6-12-11(14)9-13-7-3-4-8-13/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,12,14).
What are the key properties of N-(3-methylbutyl)-2-pyrrol-1-ylacetamide?
N-(3-methylbutyl)-2-pyrrol-1-ylacetamide has a molecular weight of 194.28 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 63809996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).