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

C12H20N2O — CID 110700635

IUPACN-butyl-3-(1-methylpyrrol-2-yl)propanamide
SMILESCCCCNC(=O)CCc1cccn1C
InChIInChI=1S/C12H20N2O/c1-3-4-9-13-12(15)8-7-11-6-5-10-14(11)2/h5-6,10H,3-4,7-9H2,1-2H3,(H,13,15)
InChIKeyFKWRXJGULGIGND-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.87
Rot. Bonds6

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

N-butyl-3-(1-methylpyrrol-2-yl)propanamide (PubChem CID 110700635) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-butyl-3-(1-methylpyrrol-2-yl)propanamide.

Molecular Properties

Compound NameN-butyl-3-(1-methylpyrrol-2-yl)propanamide
PubChem CID110700635
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-butyl-3-(1-methylpyrrol-2-yl)propanamide
SMILESCCCCNC(=O)CCc1cccn1C
InChIInChI=1S/C12H20N2O/c1-3-4-9-13-12(15)8-7-11-6-5-10-14(11)2/h5-6,10H,3-4,7-9H2,1-2H3,(H,13,15)
InChIKeyFKWRXJGULGIGND-UHFFFAOYSA-N
XLogP1.87
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.87
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-(2-acetamidoethyl)-3-(1-methylpyrrol-2-yl)propanamide
CID 110700711
N-[2-(3-methoxyphenyl)ethyl]-3-(1-methylpyrrol-2-yl)propanamide
CID 110700679
3-(1-methylpyrrol-2-yl)-N-pyrimidin-2-ylpropanamide
CID 110700772
4-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]butanamide
CID 106423340
4-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-2-oxobutanamide
CID 148872611
3-(1-methylpyrrol-2-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propanamide
CID 122572772
ethyl 3-(1-methylpyrrol-2-yl)propanoate
CID 69110219
N-(4-ethoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide
CID 110700746
N-(3-acetamidophenyl)-3-(1-methylpyrrol-2-yl)propanamide
CID 110700760
N-[(1-methylpyrrol-2-yl)methyl]-4-(propan-2-ylamino)butanamide
CID 114186109
ethyl 4-[3-(1-methylpyrrol-2-yl)propanoyl]piperazine-1-carboxylate
CID 110700700
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]pentanamide
CID 110730308

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(1-methylpyrrol-2-yl)propanamide?
The IUPAC name of N-butyl-3-(1-methylpyrrol-2-yl)propanamide (CID 110700635) is N-butyl-3-(1-methylpyrrol-2-yl)propanamide.
What is the SMILES notation for N-butyl-3-(1-methylpyrrol-2-yl)propanamide?
The canonical SMILES for N-butyl-3-(1-methylpyrrol-2-yl)propanamide is CCCCNC(=O)CCc1cccn1C.
What is the InChIKey of N-butyl-3-(1-methylpyrrol-2-yl)propanamide?
The InChIKey is FKWRXJGULGIGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-4-9-13-12(15)8-7-11-6-5-10-14(11)2/h5-6,10H,3-4,7-9H2,1-2H3,(H,13,15).
What are the key properties of N-butyl-3-(1-methylpyrrol-2-yl)propanamide?
N-butyl-3-(1-methylpyrrol-2-yl)propanamide has a molecular weight of 208.31 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(1-methylpyrrol-2-yl)propanamide is sourced from PubChem (CID 110700635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).