2-(3,4-dimethylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide

C23H28N2O4 — CID 53284374

IUPAC2-(3,4-dimethylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C23H28N2O4/c1-4-21(29-18-10-9-16(2)17(3)15-18)22(26)24-20-8-6-5-7-19(20)23(27)25-11-13-28-14-12-25/h5-10,15,21H,4,11-14H2,1-3H3,(H,24,26)
InChIKeyUOYCBZPHJQRDLU-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.57
Rot. Bonds6

About 2-(3,4-dimethylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide

2-(3,4-dimethylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide (PubChem CID 53284374) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
PubChem CID53284374
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-(3,4-dimethylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C23H28N2O4/c1-4-21(29-18-10-9-16(2)17(3)15-18)22(26)24-20-8-6-5-7-19(20)23(27)25-11-13-28-14-12-25/h5-10,15,21H,4,11-14H2,1-3H3,(H,24,26)
InChIKeyUOYCBZPHJQRDLU-UHFFFAOYSA-N
XLogP3.57
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 99133130
(2R)-2-(4-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 26074932
N-[2-(morpholine-4-carbonyl)phenyl]-2-(4-phenylphenoxy)butanamide
CID 17073395
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
(2S)-2-(2-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 40742401
(2R)-2-naphthalen-2-yloxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 28633196
(2S)-2-naphthalen-2-yloxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 28633197
(2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methylphenoxy)butanamide
CID 92947905
2-(3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 4928588
2-[2-(3,4-dimethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 46778104
2-(4-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 4933116

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide (CID 53284374) is 2-(3,4-dimethylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide is CCC(Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)N1CCOCC1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide?
The InChIKey is UOYCBZPHJQRDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-4-21(29-18-10-9-16(2)17(3)15-18)22(26)24-20-8-6-5-7-19(20)23(27)25-11-13-28-14-12-25/h5-10,15,21H,4,11-14H2,1-3H3,(H,24,26).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide?
2-(3,4-dimethylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide has a molecular weight of 396.49 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide is sourced from PubChem (CID 53284374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).