N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide

C24H29N3O3 — CID 54843310

IUPACN-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
SMILESC=C(C)COc1cccc(NC(=O)CNc2cccc(C(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C24H29N3O3/c1-18(2)17-30-22-11-7-10-21(15-22)26-23(28)16-25-20-9-6-8-19(14-20)24(29)27-12-4-3-5-13-27/h6-11,14-15,25H,1,3-5,12-13,16-17H2,2H3,(H,26,28)
InChIKeyABHOJDVSKNRDNZ-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.32
Rot. Bonds8

About N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide

N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide (PubChem CID 54843310) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
PubChem CID54843310
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
SMILESC=C(C)COc1cccc(NC(=O)CNc2cccc(C(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C24H29N3O3/c1-18(2)17-30-22-11-7-10-21(15-22)26-23(28)16-25-20-9-6-8-19(14-20)24(29)27-12-4-3-5-13-27/h6-11,14-15,25H,1,3-5,12-13,16-17H2,2H3,(H,26,28)
InChIKeyABHOJDVSKNRDNZ-UHFFFAOYSA-N
XLogP4.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54824283
2-[3-(2-methylprop-2-enoxy)anilino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54826101
2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54842850
N-(3-methoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085005
2-[3-(2-methylpropoxy)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54823197
N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554
N-[3-(2-phenylethoxy)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841151
N-(3,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085577
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54833152
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
2-(4-methoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54812026

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide (CID 54843310) is N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide is C=C(C)COc1cccc(NC(=O)CNc2cccc(C(=O)N3CCCCC3)c2)c1.
What is the InChIKey of N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide?
The InChIKey is ABHOJDVSKNRDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-18(2)17-30-22-11-7-10-21(15-22)26-23(28)16-25-20-9-6-8-19(14-20)24(29)27-12-4-3-5-13-27/h6-11,14-15,25H,1,3-5,12-13,16-17H2,2H3,(H,26,28).
What are the key properties of N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide?
N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide has a molecular weight of 407.51 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 54843310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).