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

C27H28N2O4 — CID 17073395

IUPACN-[2-(morpholine-4-carbonyl)phenyl]-2-(4-phenylphenoxy)butanamide
SMILESCCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C27H28N2O4/c1-2-25(33-22-14-12-21(13-15-22)20-8-4-3-5-9-20)26(30)28-24-11-7-6-10-23(24)27(31)29-16-18-32-19-17-29/h3-15,25H,2,16-19H2,1H3,(H,28,30)
InChIKeyPBWPRBSLRLILEP-UHFFFAOYSA-N
MW444.53 g/mol
LogP4.62
Rot. Bonds7

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

N-[2-(morpholine-4-carbonyl)phenyl]-2-(4-phenylphenoxy)butanamide (PubChem CID 17073395) has the molecular formula C27H28N2O4 and a molecular weight of 444.53 g/mol. Its IUPAC name is N-[2-(morpholine-4-carbonyl)phenyl]-2-(4-phenylphenoxy)butanamide.

Molecular Properties

Compound NameN-[2-(morpholine-4-carbonyl)phenyl]-2-(4-phenylphenoxy)butanamide
PubChem CID17073395
Molecular FormulaC27H28N2O4
Molecular Weight444.53 g/mol
Exact Mass444.20
IUPAC NameN-[2-(morpholine-4-carbonyl)phenyl]-2-(4-phenylphenoxy)butanamide
SMILESCCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C27H28N2O4/c1-2-25(33-22-14-12-21(13-15-22)20-8-4-3-5-9-20)26(30)28-24-11-7-6-10-23(24)27(31)29-16-18-32-19-17-29/h3-15,25H,2,16-19H2,1H3,(H,28,30)
InChIKeyPBWPRBSLRLILEP-UHFFFAOYSA-N
XLogP4.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 26074932
2-(3,4-dimethylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 53284374
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
(2R)-2-(4-chloro-3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 99133130
(2S)-2-(2-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 40742401
2-(4-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 4933116
2-(4-ethylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 4953377
(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
(2R)-N-[4-(morpholine-4-carbonyl)phenyl]-2-phenoxybutanamide
CID 42579548
(2R)-2-(4-tert-butylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 26199060

Frequently Asked Questions

What is the IUPAC name of N-[2-(morpholine-4-carbonyl)phenyl]-2-(4-phenylphenoxy)butanamide?
The IUPAC name of N-[2-(morpholine-4-carbonyl)phenyl]-2-(4-phenylphenoxy)butanamide (CID 17073395) is N-[2-(morpholine-4-carbonyl)phenyl]-2-(4-phenylphenoxy)butanamide.
What is the SMILES notation for N-[2-(morpholine-4-carbonyl)phenyl]-2-(4-phenylphenoxy)butanamide?
The canonical SMILES for N-[2-(morpholine-4-carbonyl)phenyl]-2-(4-phenylphenoxy)butanamide is CCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1.
What is the InChIKey of N-[2-(morpholine-4-carbonyl)phenyl]-2-(4-phenylphenoxy)butanamide?
The InChIKey is PBWPRBSLRLILEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4/c1-2-25(33-22-14-12-21(13-15-22)20-8-4-3-5-9-20)26(30)28-24-11-7-6-10-23(24)27(31)29-16-18-32-19-17-29/h3-15,25H,2,16-19H2,1H3,(H,28,30).
What are the key properties of N-[2-(morpholine-4-carbonyl)phenyl]-2-(4-phenylphenoxy)butanamide?
N-[2-(morpholine-4-carbonyl)phenyl]-2-(4-phenylphenoxy)butanamide has a molecular weight of 444.53 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(morpholine-4-carbonyl)phenyl]-2-(4-phenylphenoxy)butanamide is sourced from PubChem (CID 17073395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).