2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide

C19H22N2O2 — CID 51157992

IUPAC2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H22N2O2/c1-15(23-18-7-3-2-4-8-18)19(22)20-16-9-11-17(12-10-16)21-13-5-6-14-21/h2-4,7-12,15H,5-6,13-14H2,1H3,(H,20,22)
InChIKeyLUZVUCJXRBZGIZ-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.69
Rot. Bonds5

About 2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide

2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 51157992) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID51157992
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H22N2O2/c1-15(23-18-7-3-2-4-8-18)19(22)20-16-9-11-17(12-10-16)21-13-5-6-14-21/h2-4,7-12,15H,5-6,13-14H2,1H3,(H,20,22)
InChIKeyLUZVUCJXRBZGIZ-UHFFFAOYSA-N
XLogP3.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166686
2-(4-bromophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166744
(2R)-2-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 8002204
N-[4-(azepan-1-yl)phenyl]-2-(4-chlorophenoxy)propanamide
CID 18291163
2-(4-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 18268297
(2S)-2-(3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100506199
(2R)-2-(2-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 39126898
2-(2-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166702
(2S)-2-(3,5-dimethoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550636
(2R)-2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 41491672
(2R)-2-(2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550758
(2R)-2-phenoxy-N-(4-piperidin-1-ylphenyl)butanamide
CID 7409300

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide (CID 51157992) is 2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide is CC(Oc1ccccc1)C(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is LUZVUCJXRBZGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-15(23-18-7-3-2-4-8-18)19(22)20-16-9-11-17(12-10-16)21-13-5-6-14-21/h2-4,7-12,15H,5-6,13-14H2,1H3,(H,20,22).
What are the key properties of 2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide?
2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 310.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 51157992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).