N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide

C19H28N2O2 — CID 44828373

IUPACN-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
SMILESCC(C(=O)NCC1(c2ccccc2)CCOCC1)N1CCCC1
InChIInChI=1S/C19H28N2O2/c1-16(21-11-5-6-12-21)18(22)20-15-19(9-13-23-14-10-19)17-7-3-2-4-8-17/h2-4,7-8,16H,5-6,9-15H2,1H3,(H,20,22)
InChIKeySIKQLCHVECJLPS-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.34
Rot. Bonds5

About N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide

N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide (PubChem CID 44828373) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
PubChem CID44828373
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
SMILESCC(C(=O)NCC1(c2ccccc2)CCOCC1)N1CCCC1
InChIInChI=1S/C19H28N2O2/c1-16(21-11-5-6-12-21)18(22)20-15-19(9-13-23-14-10-19)17-7-3-2-4-8-17/h2-4,7-8,16H,5-6,9-15H2,1H3,(H,20,22)
InChIKeySIKQLCHVECJLPS-UHFFFAOYSA-N
XLogP2.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide (CID 44828373) is N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide is CC(C(=O)NCC1(c2ccccc2)CCOCC1)N1CCCC1.
What is the InChIKey of N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide?
The InChIKey is SIKQLCHVECJLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-16(21-11-5-6-12-21)18(22)20-15-19(9-13-23-14-10-19)17-7-3-2-4-8-17/h2-4,7-8,16H,5-6,9-15H2,1H3,(H,20,22).
What are the key properties of N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide?
N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide has a molecular weight of 316.44 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 44828373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).