(2R)-N-(3,4-dimethylphenyl)-2-pyrrol-1-ylpropanamide

C15H18N2O — CID 40796758

IUPAC(2R)-N-(3,4-dimethylphenyl)-2-pyrrol-1-ylpropanamide
SMILESCc1ccc(NC(=O)[C@@H](C)n2cccc2)cc1C
InChIInChI=1S/C15H18N2O/c1-11-6-7-14(10-12(11)2)16-15(18)13(3)17-8-4-5-9-17/h4-10,13H,1-3H3,(H,16,18)/t13-/m1/s1
InChIKeyBXGMGGJULATBNL-CYBMUJFWSA-N
MW242.32 g/mol
LogP3.30
Rot. Bonds3

About (2R)-N-(3,4-dimethylphenyl)-2-pyrrol-1-ylpropanamide

(2R)-N-(3,4-dimethylphenyl)-2-pyrrol-1-ylpropanamide (PubChem CID 40796758) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (2R)-N-(3,4-dimethylphenyl)-2-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-(3,4-dimethylphenyl)-2-pyrrol-1-ylpropanamide
PubChem CID40796758
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(2R)-N-(3,4-dimethylphenyl)-2-pyrrol-1-ylpropanamide
SMILESCc1ccc(NC(=O)[C@@H](C)n2cccc2)cc1C
InChIInChI=1S/C15H18N2O/c1-11-6-7-14(10-12(11)2)16-15(18)13(3)17-8-4-5-9-17/h4-10,13H,1-3H3,(H,16,18)/t13-/m1/s1
InChIKeyBXGMGGJULATBNL-CYBMUJFWSA-N
XLogP3.30
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-dimethylphenyl)-2-pyrrol-1-ylpropanamide?
The IUPAC name of (2R)-N-(3,4-dimethylphenyl)-2-pyrrol-1-ylpropanamide (CID 40796758) is (2R)-N-(3,4-dimethylphenyl)-2-pyrrol-1-ylpropanamide.
What is the SMILES notation for (2R)-N-(3,4-dimethylphenyl)-2-pyrrol-1-ylpropanamide?
The canonical SMILES for (2R)-N-(3,4-dimethylphenyl)-2-pyrrol-1-ylpropanamide is Cc1ccc(NC(=O)[C@@H](C)n2cccc2)cc1C.
What is the InChIKey of (2R)-N-(3,4-dimethylphenyl)-2-pyrrol-1-ylpropanamide?
The InChIKey is BXGMGGJULATBNL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-6-7-14(10-12(11)2)16-15(18)13(3)17-8-4-5-9-17/h4-10,13H,1-3H3,(H,16,18)/t13-/m1/s1.
What are the key properties of (2R)-N-(3,4-dimethylphenyl)-2-pyrrol-1-ylpropanamide?
(2R)-N-(3,4-dimethylphenyl)-2-pyrrol-1-ylpropanamide has a molecular weight of 242.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-dimethylphenyl)-2-pyrrol-1-ylpropanamide is sourced from PubChem (CID 40796758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).