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

C23H27N3O4 — CID 54826101

IUPAC2-[3-(2-methylprop-2-enoxy)anilino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
SMILESC=C(C)COc1cccc(NCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C23H27N3O4/c1-17(2)16-30-21-8-4-6-19(14-21)24-15-22(27)25-20-7-3-5-18(13-20)23(28)26-9-11-29-12-10-26/h3-8,13-14,24H,1,9-12,15-16H2,2H3,(H,25,27)
InChIKeyXTWHXIIVOAQICA-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.16
Rot. Bonds8

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

2-[3-(2-methylprop-2-enoxy)anilino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide (PubChem CID 54826101) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[3-(2-methylprop-2-enoxy)anilino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(2-methylprop-2-enoxy)anilino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
PubChem CID54826101
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name2-[3-(2-methylprop-2-enoxy)anilino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
SMILESC=C(C)COc1cccc(NCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C23H27N3O4/c1-17(2)16-30-21-8-4-6-19(14-21)24-15-22(27)25-20-7-3-5-18(13-20)23(28)26-9-11-29-12-10-26/h3-8,13-14,24H,1,9-12,15-16H2,2H3,(H,25,27)
InChIKeyXTWHXIIVOAQICA-UHFFFAOYSA-N
XLogP3.16
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843310
2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54842850
2-(3-acetamidoanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54831502
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54824283
2-[3-(morpholine-4-carbonyl)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54836347
N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822646
2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54826557
N-(3-methoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825899
N-tert-butyl-3-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844342
N-(3-methoxyphenyl)-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832632
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54824411
N-(3-methoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085005

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylprop-2-enoxy)anilino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[3-(2-methylprop-2-enoxy)anilino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide (CID 54826101) is 2-[3-(2-methylprop-2-enoxy)anilino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(2-methylprop-2-enoxy)anilino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[3-(2-methylprop-2-enoxy)anilino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide is C=C(C)COc1cccc(NCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1.
What is the InChIKey of 2-[3-(2-methylprop-2-enoxy)anilino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide?
The InChIKey is XTWHXIIVOAQICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-17(2)16-30-21-8-4-6-19(14-21)24-15-22(27)25-20-7-3-5-18(13-20)23(28)26-9-11-29-12-10-26/h3-8,13-14,24H,1,9-12,15-16H2,2H3,(H,25,27).
What are the key properties of 2-[3-(2-methylprop-2-enoxy)anilino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide?
2-[3-(2-methylprop-2-enoxy)anilino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide has a molecular weight of 409.49 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylprop-2-enoxy)anilino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54826101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).