N-benzyl-N-methyl-2-(1H-pyrrol-2-yl)acetamide

C14H16N2O — CID 110690806

IUPACN-benzyl-N-methyl-2-(1H-pyrrol-2-yl)acetamide
SMILESCN(Cc1ccccc1)C(=O)Cc1ccc[nH]1
InChIInChI=1S/C14H16N2O/c1-16(11-12-6-3-2-4-7-12)14(17)10-13-8-5-9-15-13/h2-9,15H,10-11H2,1H3
InChIKeyJBDRUOXTZXEHQB-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.22
Rot. Bonds4

About N-benzyl-N-methyl-2-(1H-pyrrol-2-yl)acetamide

N-benzyl-N-methyl-2-(1H-pyrrol-2-yl)acetamide (PubChem CID 110690806) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(1H-pyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(1H-pyrrol-2-yl)acetamide
PubChem CID110690806
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-benzyl-N-methyl-2-(1H-pyrrol-2-yl)acetamide
SMILESCN(Cc1ccccc1)C(=O)Cc1ccc[nH]1
InChIInChI=1S/C14H16N2O/c1-16(11-12-6-3-2-4-7-12)14(17)10-13-8-5-9-15-13/h2-9,15H,10-11H2,1H3
InChIKeyJBDRUOXTZXEHQB-UHFFFAOYSA-N
XLogP2.22
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-benzyl-N-methyl-2-(2H-tetrazol-5-yl)acetamide
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2,2-dimethyl-4-[methyl(1H-pyrrol-2-ylmethyl)amino]-4-oxobutanoic acid
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N-benzyl-2-formamido-N-methylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(1H-pyrrol-2-yl)acetamide?
The IUPAC name of N-benzyl-N-methyl-2-(1H-pyrrol-2-yl)acetamide (CID 110690806) is N-benzyl-N-methyl-2-(1H-pyrrol-2-yl)acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(1H-pyrrol-2-yl)acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-(1H-pyrrol-2-yl)acetamide is CN(Cc1ccccc1)C(=O)Cc1ccc[nH]1.
What is the InChIKey of N-benzyl-N-methyl-2-(1H-pyrrol-2-yl)acetamide?
The InChIKey is JBDRUOXTZXEHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-16(11-12-6-3-2-4-7-12)14(17)10-13-8-5-9-15-13/h2-9,15H,10-11H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-(1H-pyrrol-2-yl)acetamide?
N-benzyl-N-methyl-2-(1H-pyrrol-2-yl)acetamide has a molecular weight of 228.30 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(1H-pyrrol-2-yl)acetamide is sourced from PubChem (CID 110690806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).