N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide

C27H30N2O3 — CID 2467575

IUPACN-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
SMILESCOc1ccc([C@H](CNC(=O)C(c2ccccc2)c2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C27H30N2O3/c1-31-24-14-12-21(13-15-24)25(29-16-18-32-19-17-29)20-28-27(30)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,25-26H,16-20H2,1H3,(H,28,30)/t25-/m0/s1
InChIKeyZDMAGOHNGCSYIL-VWLOTQADSA-N
MW430.55 g/mol
LogP4.02
Rot. Bonds8

About N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide

N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide (PubChem CID 2467575) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
PubChem CID2467575
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC NameN-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
SMILESCOc1ccc([C@H](CNC(=O)C(c2ccccc2)c2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C27H30N2O3/c1-31-24-14-12-21(13-15-24)25(29-16-18-32-19-17-29)20-28-27(30)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,25-26H,16-20H2,1H3,(H,28,30)/t25-/m0/s1
InChIKeyZDMAGOHNGCSYIL-VWLOTQADSA-N
XLogP4.02
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide (CID 2467575) is N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide is COc1ccc([C@H](CNC(=O)C(c2ccccc2)c2ccccc2)N2CCOCC2)cc1.
What is the InChIKey of N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide?
The InChIKey is ZDMAGOHNGCSYIL-VWLOTQADSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-31-24-14-12-21(13-15-24)25(29-16-18-32-19-17-29)20-28-27(30)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,25-26H,16-20H2,1H3,(H,28,30)/t25-/m0/s1.
What are the key properties of N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide?
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide has a molecular weight of 430.55 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 2467575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).