N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-3-phenylpropanamide

C27H27FN2O4 — CID 56774650

IUPACN-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2F)cc1
InChIInChI=1S/C27H27FN2O4/c28-23-9-5-4-8-21(23)16-30-24(17-34-18-26(30)32)27(33)20-11-13-22(14-12-20)29-25(31)15-10-19-6-2-1-3-7-19/h1-9,11-14,24,27,33H,10,15-18H2,(H,29,31)/t24-,27-/m1/s1
InChIKeyIPAUXHHDCXFPOG-SHQCIBLASA-N
MW462.52 g/mol
LogP3.86
Rot. Bonds8

About N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-3-phenylpropanamide

N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-3-phenylpropanamide (PubChem CID 56774650) has the molecular formula C27H27FN2O4 and a molecular weight of 462.52 g/mol. Its IUPAC name is N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-3-phenylpropanamide
PubChem CID56774650
Molecular FormulaC27H27FN2O4
Molecular Weight462.52 g/mol
Exact Mass462.20
IUPAC NameN-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2F)cc1
InChIInChI=1S/C27H27FN2O4/c28-23-9-5-4-8-21(23)16-30-24(17-34-18-26(30)32)27(33)20-11-13-22(14-12-20)29-25(31)15-10-19-6-2-1-3-7-19/h1-9,11-14,24,27,33H,10,15-18H2,(H,29,31)/t24-,27-/m1/s1
InChIKeyIPAUXHHDCXFPOG-SHQCIBLASA-N
XLogP3.86
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-3-phenylpropanamide (CID 56774650) is N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2F)cc1.
What is the InChIKey of N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-3-phenylpropanamide?
The InChIKey is IPAUXHHDCXFPOG-SHQCIBLASA-N. The full InChI is InChI=1S/C27H27FN2O4/c28-23-9-5-4-8-21(23)16-30-24(17-34-18-26(30)32)27(33)20-11-13-22(14-12-20)29-25(31)15-10-19-6-2-1-3-7-19/h1-9,11-14,24,27,33H,10,15-18H2,(H,29,31)/t24-,27-/m1/s1.
What are the key properties of N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-3-phenylpropanamide?
N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-3-phenylpropanamide has a molecular weight of 462.52 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 56774650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).