(2S)-2-(4-methylphenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]butanamide

C22H26N2O4 — CID 42579577

IUPAC(2S)-2-(4-methylphenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]butanamide
SMILESCC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C22H26N2O4/c1-3-20(28-19-9-7-16(2)8-10-19)21(25)23-18-6-4-5-17(15-18)22(26)24-11-13-27-14-12-24/h4-10,15,20H,3,11-14H2,1-2H3,(H,23,25)/t20-/m0/s1
InChIKeyNDVYOGHUFHJJAL-FQEVSTJZSA-N
MW382.46 g/mol
LogP3.26
Rot. Bonds6

About (2S)-2-(4-methylphenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]butanamide

(2S)-2-(4-methylphenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]butanamide (PubChem CID 42579577) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is (2S)-2-(4-methylphenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(4-methylphenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]butanamide
PubChem CID42579577
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name(2S)-2-(4-methylphenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]butanamide
SMILESCC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C22H26N2O4/c1-3-20(28-19-9-7-16(2)8-10-19)21(25)23-18-6-4-5-17(15-18)22(26)24-11-13-27-14-12-24/h4-10,15,20H,3,11-14H2,1-2H3,(H,23,25)/t20-/m0/s1
InChIKeyNDVYOGHUFHJJAL-FQEVSTJZSA-N
XLogP3.26
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(4-methylphenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methylphenoxy)-N-[3-(piperidine-1-carbonyl)phenyl]butanamide
CID 43878334
N-(3-acetylphenyl)-2-(4-methylphenoxy)butanamide
CID 4949978
(2R)-N-[4-(morpholine-4-carbonyl)phenyl]-2-phenoxybutanamide
CID 42579548
ethyl 3-[2-(4-methylphenoxy)butanoylamino]benzoate
CID 132652172
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822646
(2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide
CID 41228638
4-ethoxy-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205497
2-(4-methylphenoxy)-N-[4-(morpholine-4-carbonyl)phenyl]propanamide
CID 17194734
N-[2-(morpholine-4-carbonyl)phenyl]-2-(4-phenylphenoxy)butanamide
CID 17073395
N-benzyl-N-methyl-3-[2-(4-methylphenoxy)butanoylamino]benzamide
CID 43877329
3-[2-(4-methylphenoxy)butanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 43878204

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylphenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]butanamide?
The IUPAC name of (2S)-2-(4-methylphenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]butanamide (CID 42579577) is (2S)-2-(4-methylphenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]butanamide.
What is the SMILES notation for (2S)-2-(4-methylphenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]butanamide?
The canonical SMILES for (2S)-2-(4-methylphenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]butanamide is CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of (2S)-2-(4-methylphenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]butanamide?
The InChIKey is NDVYOGHUFHJJAL-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-3-20(28-19-9-7-16(2)8-10-19)21(25)23-18-6-4-5-17(15-18)22(26)24-11-13-27-14-12-24/h4-10,15,20H,3,11-14H2,1-2H3,(H,23,25)/t20-/m0/s1.
What are the key properties of (2S)-2-(4-methylphenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]butanamide?
(2S)-2-(4-methylphenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]butanamide has a molecular weight of 382.46 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylphenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]butanamide is sourced from PubChem (CID 42579577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).