2,2,3-trimethyl-N-[1-(1-methylpyrrol-2-yl)propan-2-yl]butanamide

C15H26N2O — CID 166381439

IUPAC2,2,3-trimethyl-N-[1-(1-methylpyrrol-2-yl)propan-2-yl]butanamide
SMILESCC(Cc1cccn1C)NC(=O)C(C)(C)C(C)C
InChIInChI=1S/C15H26N2O/c1-11(2)15(4,5)14(18)16-12(3)10-13-8-7-9-17(13)6/h7-9,11-12H,10H2,1-6H3,(H,16,18)
InChIKeyTXTBBHRHUFSSPE-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.75
Rot. Bonds5

About 2,2,3-trimethyl-N-[1-(1-methylpyrrol-2-yl)propan-2-yl]butanamide

2,2,3-trimethyl-N-[1-(1-methylpyrrol-2-yl)propan-2-yl]butanamide (PubChem CID 166381439) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2,2,3-trimethyl-N-[1-(1-methylpyrrol-2-yl)propan-2-yl]butanamide.

Molecular Properties

Compound Name2,2,3-trimethyl-N-[1-(1-methylpyrrol-2-yl)propan-2-yl]butanamide
PubChem CID166381439
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2,2,3-trimethyl-N-[1-(1-methylpyrrol-2-yl)propan-2-yl]butanamide
SMILESCC(Cc1cccn1C)NC(=O)C(C)(C)C(C)C
InChIInChI=1S/C15H26N2O/c1-11(2)15(4,5)14(18)16-12(3)10-13-8-7-9-17(13)6/h7-9,11-12H,10H2,1-6H3,(H,16,18)
InChIKeyTXTBBHRHUFSSPE-UHFFFAOYSA-N
XLogP2.75
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-N-[1-(1-methylpyrrol-2-yl)propan-2-yl]butanamide?
The IUPAC name of 2,2,3-trimethyl-N-[1-(1-methylpyrrol-2-yl)propan-2-yl]butanamide (CID 166381439) is 2,2,3-trimethyl-N-[1-(1-methylpyrrol-2-yl)propan-2-yl]butanamide.
What is the SMILES notation for 2,2,3-trimethyl-N-[1-(1-methylpyrrol-2-yl)propan-2-yl]butanamide?
The canonical SMILES for 2,2,3-trimethyl-N-[1-(1-methylpyrrol-2-yl)propan-2-yl]butanamide is CC(Cc1cccn1C)NC(=O)C(C)(C)C(C)C.
What is the InChIKey of 2,2,3-trimethyl-N-[1-(1-methylpyrrol-2-yl)propan-2-yl]butanamide?
The InChIKey is TXTBBHRHUFSSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(2)15(4,5)14(18)16-12(3)10-13-8-7-9-17(13)6/h7-9,11-12H,10H2,1-6H3,(H,16,18).
What are the key properties of 2,2,3-trimethyl-N-[1-(1-methylpyrrol-2-yl)propan-2-yl]butanamide?
2,2,3-trimethyl-N-[1-(1-methylpyrrol-2-yl)propan-2-yl]butanamide has a molecular weight of 250.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-N-[1-(1-methylpyrrol-2-yl)propan-2-yl]butanamide is sourced from PubChem (CID 166381439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).