N-[3-(2-methoxyethoxy)phenyl]-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide

C24H31N3O4 — CID 54843222

IUPACN-[3-(2-methoxyethoxy)phenyl]-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
SMILESCOCCOc1cccc(NC(=O)CNc2cccc(C(=O)N3CCC(C)CC3)c2)c1
InChIInChI=1S/C24H31N3O4/c1-18-9-11-27(12-10-18)24(29)19-5-3-6-20(15-19)25-17-23(28)26-21-7-4-8-22(16-21)31-14-13-30-2/h3-8,15-16,18,25H,9-14,17H2,1-2H3,(H,26,28)
InChIKeyMKYGCRSWPAFCHX-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.63
Rot. Bonds9

About N-[3-(2-methoxyethoxy)phenyl]-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide

N-[3-(2-methoxyethoxy)phenyl]-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide (PubChem CID 54843222) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)phenyl]-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)phenyl]-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
PubChem CID54843222
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC NameN-[3-(2-methoxyethoxy)phenyl]-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
SMILESCOCCOc1cccc(NC(=O)CNc2cccc(C(=O)N3CCC(C)CC3)c2)c1
InChIInChI=1S/C24H31N3O4/c1-18-9-11-27(12-10-18)24(29)19-5-3-6-20(15-19)25-17-23(28)26-21-7-4-8-22(16-21)31-14-13-30-2/h3-8,15-16,18,25H,9-14,17H2,1-2H3,(H,26,28)
InChIKeyMKYGCRSWPAFCHX-UHFFFAOYSA-N
XLogP3.63
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.63
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

2-[4-(2-methoxyethoxy)anilino]-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54822272
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822959
2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54842850
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(3-phenylmethoxyanilino)acetamide
CID 54826640
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54830898
N-(3-methoxypropyl)-3-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843162
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide
CID 54822737
N-(4-methoxyphenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843609
2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526
N-(2-methoxyethyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54842818
N-(4-ethoxyphenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843517
2-(3-ethoxyanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54826455

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)phenyl]-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-[3-(2-methoxyethoxy)phenyl]-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide (CID 54843222) is N-[3-(2-methoxyethoxy)phenyl]-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)phenyl]-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)phenyl]-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide is COCCOc1cccc(NC(=O)CNc2cccc(C(=O)N3CCC(C)CC3)c2)c1.
What is the InChIKey of N-[3-(2-methoxyethoxy)phenyl]-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide?
The InChIKey is MKYGCRSWPAFCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-18-9-11-27(12-10-18)24(29)19-5-3-6-20(15-19)25-17-23(28)26-21-7-4-8-22(16-21)31-14-13-30-2/h3-8,15-16,18,25H,9-14,17H2,1-2H3,(H,26,28).
What are the key properties of N-[3-(2-methoxyethoxy)phenyl]-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide?
N-[3-(2-methoxyethoxy)phenyl]-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide has a molecular weight of 425.53 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)phenyl]-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 54843222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).