(2S)-2-(2,4-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide

C23H30N2O3 — CID 99133351

IUPAC(2S)-2-(2,4-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
SMILESCC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H30N2O3/c1-4-21(28-22-10-5-17(2)15-18(22)3)23(26)24-16-19-6-8-20(9-7-19)25-11-13-27-14-12-25/h5-10,15,21H,4,11-14,16H2,1-3H3,(H,24,26)/t21-/m0/s1
InChIKeyILTGZTITXWTRDC-NRFANRHFSA-N
MW382.50 g/mol
LogP3.61
Rot. Bonds7

About (2S)-2-(2,4-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide

(2S)-2-(2,4-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide (PubChem CID 99133351) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is (2S)-2-(2,4-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
PubChem CID99133351
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name(2S)-2-(2,4-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
SMILESCC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H30N2O3/c1-4-21(28-22-10-5-17(2)15-18(22)3)23(26)24-16-19-6-8-20(9-7-19)25-11-13-27-14-12-25/h5-10,15,21H,4,11-14,16H2,1-3H3,(H,24,26)/t21-/m0/s1
InChIKeyILTGZTITXWTRDC-NRFANRHFSA-N
XLogP3.61
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.61
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

(2R)-2-(2-methylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 99131490
(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-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide
CID 92646509
(2R)-2-(2,5-dimethylphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 92685617
2-(2,5-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 53282901
2-(2,5-dimethylphenoxy)-N-(4-morpholin-4-ylphenyl)butanamide
CID 133203327
(2S)-2-(2,4-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 100507893
2-(2,4-dimethylphenoxy)-N-ethylbutanamide
CID 53289122
2-(2,4-dimethylphenoxy)-N-propylbutanamide
CID 20682013
2-(2,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide
CID 14211244
2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 133190452

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide?
The IUPAC name of (2S)-2-(2,4-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide (CID 99133351) is (2S)-2-(2,4-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide.
What is the SMILES notation for (2S)-2-(2,4-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide?
The canonical SMILES for (2S)-2-(2,4-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide is CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (2S)-2-(2,4-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide?
The InChIKey is ILTGZTITXWTRDC-NRFANRHFSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-4-21(28-22-10-5-17(2)15-18(22)3)23(26)24-16-19-6-8-20(9-7-19)25-11-13-27-14-12-25/h5-10,15,21H,4,11-14,16H2,1-3H3,(H,24,26)/t21-/m0/s1.
What are the key properties of (2S)-2-(2,4-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide?
(2S)-2-(2,4-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide has a molecular weight of 382.50 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide is sourced from PubChem (CID 99133351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).