2-[4-(morpholine-4-carbonyl)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide

C28H31N3O4 — CID 54832122

IUPAC2-[4-(morpholine-4-carbonyl)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
SMILESO=C(CNc1ccc(C(=O)N2CCOCC2)cc1)Nc1ccc(OCCCc2ccccc2)cc1
InChIInChI=1S/C28H31N3O4/c32-27(21-29-24-10-8-23(9-11-24)28(33)31-16-19-34-20-17-31)30-25-12-14-26(15-13-25)35-18-4-7-22-5-2-1-3-6-22/h1-3,5-6,8-15,29H,4,7,16-21H2,(H,30,32)
InChIKeyUEFHXZAXNBNFEG-UHFFFAOYSA-N
MW473.57 g/mol
LogP4.22
Rot. Bonds10

About 2-[4-(morpholine-4-carbonyl)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide

2-[4-(morpholine-4-carbonyl)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide (PubChem CID 54832122) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is 2-[4-(morpholine-4-carbonyl)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(morpholine-4-carbonyl)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
PubChem CID54832122
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC Name2-[4-(morpholine-4-carbonyl)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
SMILESO=C(CNc1ccc(C(=O)N2CCOCC2)cc1)Nc1ccc(OCCCc2ccccc2)cc1
InChIInChI=1S/C28H31N3O4/c32-27(21-29-24-10-8-23(9-11-24)28(33)31-16-19-34-20-17-31)30-25-12-14-26(15-13-25)35-18-4-7-22-5-2-1-3-6-22/h1-3,5-6,8-15,29H,4,7,16-21H2,(H,30,32)
InChIKeyUEFHXZAXNBNFEG-UHFFFAOYSA-N
XLogP4.22
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839339
2-[4-(morpholine-4-carbonyl)anilino]-N-phenylacetamide
CID 54832695
N-(4-heptoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832283
1-morpholin-4-yl-2-[4-(3-phenylpropoxy)anilino]ethanone
CID 54825335
N-[4-(2-phenoxyethoxy)phenyl]-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834026
N-[3-(azepane-1-carbonyl)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825406
2-[4-(3-phenylpropoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54825491
N-[4-(2-methylpropoxy)phenyl]-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832218
N-(4-phenylmethoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54833960
N-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839600
N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825334
2-[4-(morpholine-4-carbonyl)phenoxy]-N-phenylacetamide
CID 18837739

Frequently Asked Questions

What is the IUPAC name of 2-[4-(morpholine-4-carbonyl)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(morpholine-4-carbonyl)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide (CID 54832122) is 2-[4-(morpholine-4-carbonyl)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(morpholine-4-carbonyl)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(morpholine-4-carbonyl)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide is O=C(CNc1ccc(C(=O)N2CCOCC2)cc1)Nc1ccc(OCCCc2ccccc2)cc1.
What is the InChIKey of 2-[4-(morpholine-4-carbonyl)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide?
The InChIKey is UEFHXZAXNBNFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4/c32-27(21-29-24-10-8-23(9-11-24)28(33)31-16-19-34-20-17-31)30-25-12-14-26(15-13-25)35-18-4-7-22-5-2-1-3-6-22/h1-3,5-6,8-15,29H,4,7,16-21H2,(H,30,32).
What are the key properties of 2-[4-(morpholine-4-carbonyl)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide?
2-[4-(morpholine-4-carbonyl)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide has a molecular weight of 473.57 g/mol, XLogP of 4.22, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(morpholine-4-carbonyl)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide is sourced from PubChem (CID 54832122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).