N-ethyl-N-[(2S,4R)-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]oxan-4-yl]acetamide

C25H34N2O2 — CID 110130239

IUPACN-ethyl-N-[(2S,4R)-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]oxan-4-yl]acetamide
SMILESCCN(C(C)=O)[C@@H]1CCO[C@H](c2ccc(CN(C)CCc3ccccc3)cc2)C1
InChIInChI=1S/C25H34N2O2/c1-4-27(20(2)28)24-15-17-29-25(18-24)23-12-10-22(11-13-23)19-26(3)16-14-21-8-6-5-7-9-21/h5-13,24-25H,4,14-19H2,1-3H3/t24-,25+/m1/s1
InChIKeyZPIQNQMSWLFSFS-RPBOFIJWSA-N
MW394.56 g/mol
LogP4.45
Rot. Bonds8

About N-ethyl-N-[(2S,4R)-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]oxan-4-yl]acetamide

N-ethyl-N-[(2S,4R)-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]oxan-4-yl]acetamide (PubChem CID 110130239) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-ethyl-N-[(2S,4R)-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[(2S,4R)-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]oxan-4-yl]acetamide
PubChem CID110130239
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC NameN-ethyl-N-[(2S,4R)-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]oxan-4-yl]acetamide
SMILESCCN(C(C)=O)[C@@H]1CCO[C@H](c2ccc(CN(C)CCc3ccccc3)cc2)C1
InChIInChI=1S/C25H34N2O2/c1-4-27(20(2)28)24-15-17-29-25(18-24)23-12-10-22(11-13-23)19-26(3)16-14-21-8-6-5-7-9-21/h5-13,24-25H,4,14-19H2,1-3H3/t24-,25+/m1/s1
InChIKeyZPIQNQMSWLFSFS-RPBOFIJWSA-N
XLogP4.45
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2S,4R)-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]oxan-4-yl]acetamide?
The IUPAC name of N-ethyl-N-[(2S,4R)-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]oxan-4-yl]acetamide (CID 110130239) is N-ethyl-N-[(2S,4R)-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]oxan-4-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[(2S,4R)-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]oxan-4-yl]acetamide?
The canonical SMILES for N-ethyl-N-[(2S,4R)-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]oxan-4-yl]acetamide is CCN(C(C)=O)[C@@H]1CCO[C@H](c2ccc(CN(C)CCc3ccccc3)cc2)C1.
What is the InChIKey of N-ethyl-N-[(2S,4R)-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]oxan-4-yl]acetamide?
The InChIKey is ZPIQNQMSWLFSFS-RPBOFIJWSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-4-27(20(2)28)24-15-17-29-25(18-24)23-12-10-22(11-13-23)19-26(3)16-14-21-8-6-5-7-9-21/h5-13,24-25H,4,14-19H2,1-3H3/t24-,25+/m1/s1.
What are the key properties of N-ethyl-N-[(2S,4R)-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]oxan-4-yl]acetamide?
N-ethyl-N-[(2S,4R)-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]oxan-4-yl]acetamide has a molecular weight of 394.56 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2S,4R)-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]oxan-4-yl]acetamide is sourced from PubChem (CID 110130239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).