N-butyl-4-(1H-pyrrol-3-yl)butanamide

C12H20N2O — CID 166152898

IUPACN-butyl-4-(1H-pyrrol-3-yl)butanamide
SMILESCCCCNC(=O)CCCc1cc[nH]c1
InChIInChI=1S/C12H20N2O/c1-2-3-8-14-12(15)6-4-5-11-7-9-13-10-11/h7,9-10,13H,2-6,8H2,1H3,(H,14,15)
InChIKeyOWSRFHISZNQKHW-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.25
Rot. Bonds7

About N-butyl-4-(1H-pyrrol-3-yl)butanamide

N-butyl-4-(1H-pyrrol-3-yl)butanamide (PubChem CID 166152898) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-butyl-4-(1H-pyrrol-3-yl)butanamide.

Molecular Properties

Compound NameN-butyl-4-(1H-pyrrol-3-yl)butanamide
PubChem CID166152898
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-butyl-4-(1H-pyrrol-3-yl)butanamide
SMILESCCCCNC(=O)CCCc1cc[nH]c1
InChIInChI=1S/C12H20N2O/c1-2-3-8-14-12(15)6-4-5-11-7-9-13-10-11/h7,9-10,13H,2-6,8H2,1H3,(H,14,15)
InChIKeyOWSRFHISZNQKHW-UHFFFAOYSA-N
XLogP2.25
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-4-(1H-pyrrol-3-yl)butanehydrazide
CID 116846512
N-butyl-4-(4-chlorophenyl)butanamide
CID 110297621
3-chloro-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115162634
3-pentyl-1H-pyrrole
CID 15599581
3-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 115176543
2-(ethylamino)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
CID 115158043
N-(4-phenylbutyl)hexanamide
CID 4985988
4-[4-(4-propylphenyl)butanoylamino]butanoic acid
CID 82224500
4-(1,3-dioxoisoindol-2-yl)-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 110789384
N-butyl-8-(4-phenylphenyl)octanamide
CID 152778485
N-butyl-3-(3-phenylpropylamino)propanamide
CID 109012240
butanoic acid;N-butyl-5-(4-methylphenyl)pentanamide
CID 178048626

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(1H-pyrrol-3-yl)butanamide?
The IUPAC name of N-butyl-4-(1H-pyrrol-3-yl)butanamide (CID 166152898) is N-butyl-4-(1H-pyrrol-3-yl)butanamide.
What is the SMILES notation for N-butyl-4-(1H-pyrrol-3-yl)butanamide?
The canonical SMILES for N-butyl-4-(1H-pyrrol-3-yl)butanamide is CCCCNC(=O)CCCc1cc[nH]c1.
What is the InChIKey of N-butyl-4-(1H-pyrrol-3-yl)butanamide?
The InChIKey is OWSRFHISZNQKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-3-8-14-12(15)6-4-5-11-7-9-13-10-11/h7,9-10,13H,2-6,8H2,1H3,(H,14,15).
What are the key properties of N-butyl-4-(1H-pyrrol-3-yl)butanamide?
N-butyl-4-(1H-pyrrol-3-yl)butanamide has a molecular weight of 208.31 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(1H-pyrrol-3-yl)butanamide is sourced from PubChem (CID 166152898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).