(3S)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-1-phenylpyrrolidin-2-one

C18H26N2O2 — CID 164641411

IUPAC(3S)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-1-phenylpyrrolidin-2-one
SMILESCN(CCC1CCOCC1)[C@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C18H26N2O2/c1-19(11-7-15-9-13-22-14-10-15)17-8-12-20(18(17)21)16-5-3-2-4-6-16/h2-6,15,17H,7-14H2,1H3/t17-/m0/s1
InChIKeySBNNSIKOPOVMMM-KRWDZBQOSA-N
MW302.42 g/mol
LogP2.54
Rot. Bonds5

About (3S)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-1-phenylpyrrolidin-2-one

(3S)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-1-phenylpyrrolidin-2-one (PubChem CID 164641411) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (3S)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-1-phenylpyrrolidin-2-one
PubChem CID164641411
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(3S)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-1-phenylpyrrolidin-2-one
SMILESCN(CCC1CCOCC1)[C@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C18H26N2O2/c1-19(11-7-15-9-13-22-14-10-15)17-8-12-20(18(17)21)16-5-3-2-4-6-16/h2-6,15,17H,7-14H2,1H3/t17-/m0/s1
InChIKeySBNNSIKOPOVMMM-KRWDZBQOSA-N
XLogP2.54
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-1-phenylpyrrolidin-2-one?
The IUPAC name of (3S)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-1-phenylpyrrolidin-2-one (CID 164641411) is (3S)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-1-phenylpyrrolidin-2-one is CN(CCC1CCOCC1)[C@H]1CCN(c2ccccc2)C1=O.
What is the InChIKey of (3S)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-1-phenylpyrrolidin-2-one?
The InChIKey is SBNNSIKOPOVMMM-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-19(11-7-15-9-13-22-14-10-15)17-8-12-20(18(17)21)16-5-3-2-4-6-16/h2-6,15,17H,7-14H2,1H3/t17-/m0/s1.
What are the key properties of (3S)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-1-phenylpyrrolidin-2-one?
(3S)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-1-phenylpyrrolidin-2-one has a molecular weight of 302.42 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 164641411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).