(3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide

C22H28N2O2 — CID 26008683

IUPAC(3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide
SMILESC[C@H](CC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-18(21-5-3-2-4-6-21)15-22(25)23-16-19-7-9-20(10-8-19)17-24-11-13-26-14-12-24/h2-10,18H,11-17H2,1H3,(H,23,25)/t18-/m1/s1
InChIKeyZPLBRUFICVBMOB-GOSISDBHSA-N
MW352.48 g/mol
LogP3.33
Rot. Bonds7

About (3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide

(3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide (PubChem CID 26008683) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide.

Molecular Properties

Compound Name(3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide
PubChem CID26008683
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name(3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide
SMILESC[C@H](CC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-18(21-5-3-2-4-6-21)15-22(25)23-16-19-7-9-20(10-8-19)17-24-11-13-26-14-12-24/h2-10,18H,11-17H2,1H3,(H,23,25)/t18-/m1/s1
InChIKeyZPLBRUFICVBMOB-GOSISDBHSA-N
XLogP3.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-1-phenylpropyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 42934834
1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea
CID 31647122
2-(dimethylamino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 51127553
(2R)-2-(dimethylamino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 52522894
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 8756584
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
2-benzylsulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 86918572
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-phenylbutanamide
CID 110625359
3-(morpholin-4-ylmethyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 95237190
(2S)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxybutanamide
CID 27889691
(3S)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylbutanamide
CID 51948261
N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 4801976

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide?
The IUPAC name of (3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide (CID 26008683) is (3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide.
What is the SMILES notation for (3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide?
The canonical SMILES for (3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide is C[C@H](CC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccccc1.
What is the InChIKey of (3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide?
The InChIKey is ZPLBRUFICVBMOB-GOSISDBHSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-18(21-5-3-2-4-6-21)15-22(25)23-16-19-7-9-20(10-8-19)17-24-11-13-26-14-12-24/h2-10,18H,11-17H2,1H3,(H,23,25)/t18-/m1/s1.
What are the key properties of (3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide?
(3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide has a molecular weight of 352.48 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide is sourced from PubChem (CID 26008683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).