2-[4-(oxolan-2-ylmethoxy)anilino]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide

C25H31N3O4 — CID 54821595

IUPAC2-[4-(oxolan-2-ylmethoxy)anilino]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
SMILESO=C(CNc1ccc(OCC2CCCO2)cc1)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C25H31N3O4/c29-24(17-26-20-10-12-22(13-11-20)32-18-23-5-4-16-31-23)27-21-8-6-19(7-9-21)25(30)28-14-2-1-3-15-28/h6-13,23,26H,1-5,14-18H2,(H,27,29)
InChIKeyDUVIIDGKVVPHGK-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.92
Rot. Bonds8

About 2-[4-(oxolan-2-ylmethoxy)anilino]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide

2-[4-(oxolan-2-ylmethoxy)anilino]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide (PubChem CID 54821595) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-[4-(oxolan-2-ylmethoxy)anilino]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(oxolan-2-ylmethoxy)anilino]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
PubChem CID54821595
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name2-[4-(oxolan-2-ylmethoxy)anilino]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
SMILESO=C(CNc1ccc(OCC2CCCO2)cc1)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C25H31N3O4/c29-24(17-26-20-10-12-22(13-11-20)32-18-23-5-4-16-31-23)27-21-8-6-19(7-9-21)25(30)28-14-2-1-3-15-28/h6-13,23,26H,1-5,14-18H2,(H,27,29)
InChIKeyDUVIIDGKVVPHGK-UHFFFAOYSA-N
XLogP3.92
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[3-(azepane-1-carbonyl)phenyl]-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821563
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843525
methyl 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzoate
CID 54816958
N-[3-(azepane-1-carbonyl)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828466
N-ethyl-4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54821366
2-(cyclopropylmethylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119712735
4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54821594
propyl 4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzoate
CID 54821487
N-[4-(azepane-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide
CID 54823006
N-(4-heptoxyphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821326
N-tert-butyl-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821618
2-[4-(morpholine-4-carbonyl)anilino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54831936

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxolan-2-ylmethoxy)anilino]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[4-(oxolan-2-ylmethoxy)anilino]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide (CID 54821595) is 2-[4-(oxolan-2-ylmethoxy)anilino]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(oxolan-2-ylmethoxy)anilino]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(oxolan-2-ylmethoxy)anilino]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide is O=C(CNc1ccc(OCC2CCCO2)cc1)Nc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-[4-(oxolan-2-ylmethoxy)anilino]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is DUVIIDGKVVPHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c29-24(17-26-20-10-12-22(13-11-20)32-18-23-5-4-16-31-23)27-21-8-6-19(7-9-21)25(30)28-14-2-1-3-15-28/h6-13,23,26H,1-5,14-18H2,(H,27,29).
What are the key properties of 2-[4-(oxolan-2-ylmethoxy)anilino]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide?
2-[4-(oxolan-2-ylmethoxy)anilino]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 437.54 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxolan-2-ylmethoxy)anilino]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54821595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).