(2R)-2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)butanamide

C20H24N2O2 — CID 41491672

IUPAC(2R)-2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)butanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H24N2O2/c1-2-19(24-18-8-4-3-5-9-18)20(23)21-16-10-12-17(13-11-16)22-14-6-7-15-22/h3-5,8-13,19H,2,6-7,14-15H2,1H3,(H,21,23)/t19-/m1/s1
InChIKeyAXWJZRBSCPIZGR-LJQANCHMSA-N
MW324.42 g/mol
LogP4.08
Rot. Bonds6

About (2R)-2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)butanamide

(2R)-2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)butanamide (PubChem CID 41491672) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (2R)-2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)butanamide
PubChem CID41491672
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(2R)-2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)butanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H24N2O2/c1-2-19(24-18-8-4-3-5-9-18)20(23)21-16-10-12-17(13-11-16)22-14-6-7-15-22/h3-5,8-13,19H,2,6-7,14-15H2,1H3,(H,21,23)/t19-/m1/s1
InChIKeyAXWJZRBSCPIZGR-LJQANCHMSA-N
XLogP4.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-phenoxy-N-(4-piperidin-1-ylphenyl)butanamide
CID 7409300
(2S)-2-(4-ethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 100507846
2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)butanamide
CID 133166849
(2S)-2-(4-tert-butylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 100507876
2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 51157992
2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide
CID 133166916
2-(2,3-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide
CID 133166851
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxybutanoate
CID 7149760
(2R)-N-(4-iodophenyl)-2-phenoxybutanamide
CID 1369955
(2R)-N-[4-(morpholine-4-carbonyl)phenyl]-2-phenoxybutanamide
CID 42579548
(2S)-2-(2,4-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 100507893
(2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide
CID 9296848

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)butanamide?
The IUPAC name of (2R)-2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)butanamide (CID 41491672) is (2R)-2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)butanamide.
What is the SMILES notation for (2R)-2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)butanamide?
The canonical SMILES for (2R)-2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)butanamide is CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of (2R)-2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)butanamide?
The InChIKey is AXWJZRBSCPIZGR-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-19(24-18-8-4-3-5-9-18)20(23)21-16-10-12-17(13-11-16)22-14-6-7-15-22/h3-5,8-13,19H,2,6-7,14-15H2,1H3,(H,21,23)/t19-/m1/s1.
What are the key properties of (2R)-2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)butanamide?
(2R)-2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)butanamide has a molecular weight of 324.42 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)butanamide is sourced from PubChem (CID 41491672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).