N-[4-(oxetan-2-yl)phenyl]-4-pyrrolidin-1-ylbutanamide

C17H24N2O2 — CID 163813685

IUPACN-[4-(oxetan-2-yl)phenyl]-4-pyrrolidin-1-ylbutanamide
SMILESO=C(CCCN1CCCC1)Nc1ccc(C2CCO2)cc1
InChIInChI=1S/C17H24N2O2/c20-17(4-3-12-19-10-1-2-11-19)18-15-7-5-14(6-8-15)16-9-13-21-16/h5-8,16H,1-4,9-13H2,(H,18,20)
InChIKeyNPMDSSNTUZGSMC-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.96
Rot. Bonds6

About N-[4-(oxetan-2-yl)phenyl]-4-pyrrolidin-1-ylbutanamide

N-[4-(oxetan-2-yl)phenyl]-4-pyrrolidin-1-ylbutanamide (PubChem CID 163813685) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[4-(oxetan-2-yl)phenyl]-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[4-(oxetan-2-yl)phenyl]-4-pyrrolidin-1-ylbutanamide
PubChem CID163813685
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[4-(oxetan-2-yl)phenyl]-4-pyrrolidin-1-ylbutanamide
SMILESO=C(CCCN1CCCC1)Nc1ccc(C2CCO2)cc1
InChIInChI=1S/C17H24N2O2/c20-17(4-3-12-19-10-1-2-11-19)18-15-7-5-14(6-8-15)16-9-13-21-16/h5-8,16H,1-4,9-13H2,(H,18,20)
InChIKeyNPMDSSNTUZGSMC-UHFFFAOYSA-N
XLogP2.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4-formylphenyl)-3-piperidin-1-ylpropanamide
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N-(4-aminophenyl)-4-(4-methoxypiperidin-1-yl)butanamide
CID 43372575
N-(4-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
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CID 110688218
N-[4-(3-methoxyphenyl)phenyl]-5-pyrrolidin-1-ylpentanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(oxetan-2-yl)phenyl]-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[4-(oxetan-2-yl)phenyl]-4-pyrrolidin-1-ylbutanamide (CID 163813685) is N-[4-(oxetan-2-yl)phenyl]-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[4-(oxetan-2-yl)phenyl]-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[4-(oxetan-2-yl)phenyl]-4-pyrrolidin-1-ylbutanamide is O=C(CCCN1CCCC1)Nc1ccc(C2CCO2)cc1.
What is the InChIKey of N-[4-(oxetan-2-yl)phenyl]-4-pyrrolidin-1-ylbutanamide?
The InChIKey is NPMDSSNTUZGSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-17(4-3-12-19-10-1-2-11-19)18-15-7-5-14(6-8-15)16-9-13-21-16/h5-8,16H,1-4,9-13H2,(H,18,20).
What are the key properties of N-[4-(oxetan-2-yl)phenyl]-4-pyrrolidin-1-ylbutanamide?
N-[4-(oxetan-2-yl)phenyl]-4-pyrrolidin-1-ylbutanamide has a molecular weight of 288.39 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxetan-2-yl)phenyl]-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 163813685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).