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

C22H26N2O5 — CID 40742401

IUPAC(2S)-2-(2-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
SMILESCC[C@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C22H26N2O5/c1-3-18(29-20-11-7-6-10-19(20)27-2)21(25)23-17-9-5-4-8-16(17)22(26)24-12-14-28-15-13-24/h4-11,18H,3,12-15H2,1-2H3,(H,23,25)/t18-/m0/s1
InChIKeyGSTPULJGDOFTKC-SFHVURJKSA-N
MW398.46 g/mol
LogP2.96
Rot. Bonds7

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

(2S)-2-(2-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide (PubChem CID 40742401) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is (2S)-2-(2-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
PubChem CID40742401
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name(2S)-2-(2-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
SMILESCC[C@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C22H26N2O5/c1-3-18(29-20-11-7-6-10-19(20)27-2)21(25)23-17-9-5-4-8-16(17)22(26)24-12-14-28-15-13-24/h4-11,18H,3,12-15H2,1-2H3,(H,23,25)/t18-/m0/s1
InChIKeyGSTPULJGDOFTKC-SFHVURJKSA-N
XLogP2.96
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 26074932
2-(3-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 53284266
(2R)-2-(3-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 92672077
2-(3,4-dimethylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 53284374
N-[2-(morpholine-4-carbonyl)phenyl]-2-(4-phenylphenoxy)butanamide
CID 17073395
2-[[(2R)-2-(2-methoxyphenoxy)butanoyl]amino]benzamide
CID 99132395
(2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 99133130
(2R)-N-[2-(azepane-1-carbonyl)phenyl]-2-(2-fluorophenoxy)butanamide
CID 40747464
(2R)-2-naphthalen-1-yloxy-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 92682982
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 38004411
(2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methoxyphenoxy)butanamide
CID 28632970
2-(3-methoxyphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 46764443

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide?
The IUPAC name of (2S)-2-(2-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide (CID 40742401) is (2S)-2-(2-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide.
What is the SMILES notation for (2S)-2-(2-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide?
The canonical SMILES for (2S)-2-(2-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide is CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-(2-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide?
The InChIKey is GSTPULJGDOFTKC-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-3-18(29-20-11-7-6-10-19(20)27-2)21(25)23-17-9-5-4-8-16(17)22(26)24-12-14-28-15-13-24/h4-11,18H,3,12-15H2,1-2H3,(H,23,25)/t18-/m0/s1.
What are the key properties of (2S)-2-(2-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide?
(2S)-2-(2-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide has a molecular weight of 398.46 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide is sourced from PubChem (CID 40742401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).