N-(3,4-dimethylphenyl)-3-pyrrol-1-ylpropanamide

C15H18N2O — CID 6941500

IUPACN-(3,4-dimethylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCc1ccc(NC(=O)CCn2cccc2)cc1C
InChIInChI=1S/C15H18N2O/c1-12-5-6-14(11-13(12)2)16-15(18)7-10-17-8-3-4-9-17/h3-6,8-9,11H,7,10H2,1-2H3,(H,16,18)
InChIKeyLVVGKPGKLWGIFV-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.13
Rot. Bonds4

About N-(3,4-dimethylphenyl)-3-pyrrol-1-ylpropanamide

N-(3,4-dimethylphenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 6941500) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-pyrrol-1-ylpropanamide
PubChem CID6941500
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-(3,4-dimethylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCc1ccc(NC(=O)CCn2cccc2)cc1C
InChIInChI=1S/C15H18N2O/c1-12-5-6-14(11-13(12)2)16-15(18)7-10-17-8-3-4-9-17/h3-6,8-9,11H,7,10H2,1-2H3,(H,16,18)
InChIKeyLVVGKPGKLWGIFV-UHFFFAOYSA-N
XLogP3.13
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-pyrrol-1-ylpropanamide (CID 6941500) is N-(3,4-dimethylphenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-pyrrol-1-ylpropanamide is Cc1ccc(NC(=O)CCn2cccc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is LVVGKPGKLWGIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12-5-6-14(11-13(12)2)16-15(18)7-10-17-8-3-4-9-17/h3-6,8-9,11H,7,10H2,1-2H3,(H,16,18).
What are the key properties of N-(3,4-dimethylphenyl)-3-pyrrol-1-ylpropanamide?
N-(3,4-dimethylphenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 242.32 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 6941500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).