(2R)-2-(2-methylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide

C22H28N2O3 — CID 99131490

IUPAC(2R)-2-(2-methylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
SMILESCC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H28N2O3/c1-3-20(27-21-7-5-4-6-17(21)2)22(25)23-16-18-8-10-19(11-9-18)24-12-14-26-15-13-24/h4-11,20H,3,12-16H2,1-2H3,(H,23,25)/t20-/m1/s1
InChIKeyBUMBMYAKQZHGGL-HXUWFJFHSA-N
MW368.48 g/mol
LogP3.31
Rot. Bonds7

About (2R)-2-(2-methylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide

(2R)-2-(2-methylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide (PubChem CID 99131490) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is (2R)-2-(2-methylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(2-methylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
PubChem CID99131490
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name(2R)-2-(2-methylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
SMILESCC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H28N2O3/c1-3-20(27-21-7-5-4-6-17(21)2)22(25)23-16-18-8-10-19(11-9-18)24-12-14-26-15-13-24/h4-11,20H,3,12-16H2,1-2H3,(H,23,25)/t20-/m1/s1
InChIKeyBUMBMYAKQZHGGL-HXUWFJFHSA-N
XLogP3.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2,3-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 28635390
2-(2,3-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 43886298
(2S)-2-(2,4-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 99133351
2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 133190452
(2R)-2-(2-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015546
(2R)-2-(2-methoxyphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]butanamide
CID 99972794
(2S)-2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide
CID 92646509
(2R)-2-(2,5-dimethylphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 92685617
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenoxy)butanamide
CID 132760630
2-(2-chlorophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 53282971
2-(2,5-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 53282901
2-methyl-1-[2-(2-methylphenoxy)propyl]-3-[(4-morpholin-4-ylphenyl)methyl]guanidine
CID 111686960

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide?
The IUPAC name of (2R)-2-(2-methylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide (CID 99131490) is (2R)-2-(2-methylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide.
What is the SMILES notation for (2R)-2-(2-methylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide?
The canonical SMILES for (2R)-2-(2-methylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide is CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (2R)-2-(2-methylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide?
The InChIKey is BUMBMYAKQZHGGL-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-3-20(27-21-7-5-4-6-17(21)2)22(25)23-16-18-8-10-19(11-9-18)24-12-14-26-15-13-24/h4-11,20H,3,12-16H2,1-2H3,(H,23,25)/t20-/m1/s1.
What are the key properties of (2R)-2-(2-methylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide?
(2R)-2-(2-methylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide has a molecular weight of 368.48 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide is sourced from PubChem (CID 99131490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).