N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide

C14H18N2O2 — CID 899413

IUPACN-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C14H18N2O2/c1-2-13(17)15-12-8-4-3-7-11(12)14(18)16-9-5-6-10-16/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,15,17)
InChIKeyZQCOOFUZAJGELK-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.27
Rot. Bonds3

About N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide

N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide (PubChem CID 899413) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
PubChem CID899413
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C14H18N2O2/c1-2-13(17)15-12-8-4-3-7-11(12)14(18)16-9-5-6-10-16/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,15,17)
InChIKeyZQCOOFUZAJGELK-UHFFFAOYSA-N
XLogP2.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide (CID 899413) is N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide is CCC(=O)Nc1ccccc1C(=O)N1CCCC1.
What is the InChIKey of N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The InChIKey is ZQCOOFUZAJGELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-13(17)15-12-8-4-3-7-11(12)14(18)16-9-5-6-10-16/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,15,17).
What are the key properties of N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide?
N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide has a molecular weight of 246.31 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 899413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).