N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-2-(4-phenylmethoxyphenyl)acetamide

C28H32N2O3 — CID 19746406

IUPACN-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-2-(4-phenylmethoxyphenyl)acetamide
SMILESCN(C(=O)Cc1ccc(OCc2ccccc2)cc1)C(CN1CCC(O)C1)c1ccccc1
InChIInChI=1S/C28H32N2O3/c1-29(27(24-10-6-3-7-11-24)20-30-17-16-25(31)19-30)28(32)18-22-12-14-26(15-13-22)33-21-23-8-4-2-5-9-23/h2-15,25,27,31H,16-21H2,1H3
InChIKeyTWFIQYXHPQTSRP-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.07
Rot. Bonds9

About N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-2-(4-phenylmethoxyphenyl)acetamide

N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-2-(4-phenylmethoxyphenyl)acetamide (PubChem CID 19746406) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-2-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-2-(4-phenylmethoxyphenyl)acetamide
PubChem CID19746406
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC NameN-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-2-(4-phenylmethoxyphenyl)acetamide
SMILESCN(C(=O)Cc1ccc(OCc2ccccc2)cc1)C(CN1CCC(O)C1)c1ccccc1
InChIInChI=1S/C28H32N2O3/c1-29(27(24-10-6-3-7-11-24)20-30-17-16-25(31)19-30)28(32)18-22-12-14-26(15-13-22)33-21-23-8-4-2-5-9-23/h2-15,25,27,31H,16-21H2,1H3
InChIKeyTWFIQYXHPQTSRP-UHFFFAOYSA-N
XLogP4.07
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-2-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-2-(4-phenylmethoxyphenyl)acetamide (CID 19746406) is N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-2-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-2-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-2-(4-phenylmethoxyphenyl)acetamide is CN(C(=O)Cc1ccc(OCc2ccccc2)cc1)C(CN1CCC(O)C1)c1ccccc1.
What is the InChIKey of N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-2-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is TWFIQYXHPQTSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-29(27(24-10-6-3-7-11-24)20-30-17-16-25(31)19-30)28(32)18-22-12-14-26(15-13-22)33-21-23-8-4-2-5-9-23/h2-15,25,27,31H,16-21H2,1H3.
What are the key properties of N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-2-(4-phenylmethoxyphenyl)acetamide?
N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-2-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 444.58 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-2-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 19746406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).