N,N-dimethyl-3-(5-phenyl-1H-pyrrol-3-yl)propanamide

C15H18N2O — CID 59523670

IUPACN,N-dimethyl-3-(5-phenyl-1H-pyrrol-3-yl)propanamide
SMILESCN(C)C(=O)CCc1c[nH]c(-c2ccccc2)c1
InChIInChI=1S/C15H18N2O/c1-17(2)15(18)9-8-12-10-14(16-11-12)13-6-4-3-5-7-13/h3-7,10-11,16H,8-9H2,1-2H3
InChIKeyCTHOVDULFIIQAF-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.70
Rot. Bonds4

About N,N-dimethyl-3-(5-phenyl-1H-pyrrol-3-yl)propanamide

N,N-dimethyl-3-(5-phenyl-1H-pyrrol-3-yl)propanamide (PubChem CID 59523670) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N,N-dimethyl-3-(5-phenyl-1H-pyrrol-3-yl)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(5-phenyl-1H-pyrrol-3-yl)propanamide
PubChem CID59523670
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN,N-dimethyl-3-(5-phenyl-1H-pyrrol-3-yl)propanamide
SMILESCN(C)C(=O)CCc1c[nH]c(-c2ccccc2)c1
InChIInChI=1S/C15H18N2O/c1-17(2)15(18)9-8-12-10-14(16-11-12)13-6-4-3-5-7-13/h3-7,10-11,16H,8-9H2,1-2H3
InChIKeyCTHOVDULFIIQAF-UHFFFAOYSA-N
XLogP2.70
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(5-phenyl-1H-pyrrol-3-yl)propanamide?
The IUPAC name of N,N-dimethyl-3-(5-phenyl-1H-pyrrol-3-yl)propanamide (CID 59523670) is N,N-dimethyl-3-(5-phenyl-1H-pyrrol-3-yl)propanamide.
What is the SMILES notation for N,N-dimethyl-3-(5-phenyl-1H-pyrrol-3-yl)propanamide?
The canonical SMILES for N,N-dimethyl-3-(5-phenyl-1H-pyrrol-3-yl)propanamide is CN(C)C(=O)CCc1c[nH]c(-c2ccccc2)c1.
What is the InChIKey of N,N-dimethyl-3-(5-phenyl-1H-pyrrol-3-yl)propanamide?
The InChIKey is CTHOVDULFIIQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-17(2)15(18)9-8-12-10-14(16-11-12)13-6-4-3-5-7-13/h3-7,10-11,16H,8-9H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(5-phenyl-1H-pyrrol-3-yl)propanamide?
N,N-dimethyl-3-(5-phenyl-1H-pyrrol-3-yl)propanamide has a molecular weight of 242.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(5-phenyl-1H-pyrrol-3-yl)propanamide is sourced from PubChem (CID 59523670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).