2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide

C24H29N3O3 — CID 54824283

IUPAC2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
SMILESC=C(C)COc1ccc(NCC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C24H29N3O3/c1-18(2)17-30-22-11-9-20(10-12-22)25-16-23(28)26-21-8-6-7-19(15-21)24(29)27-13-4-3-5-14-27/h6-12,15,25H,1,3-5,13-14,16-17H2,2H3,(H,26,28)
InChIKeyPNXCORPJWOFUEW-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.32
Rot. Bonds8

About 2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide

2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide (PubChem CID 54824283) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
PubChem CID54824283
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
SMILESC=C(C)COc1ccc(NCC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C24H29N3O3/c1-18(2)17-30-22-11-9-20(10-12-22)25-16-23(28)26-21-8-6-7-19(15-21)24(29)27-13-4-3-5-14-27/h6-12,15,25H,1,3-5,13-14,16-17H2,2H3,(H,26,28)
InChIKeyPNXCORPJWOFUEW-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': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'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-(4-methoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54812026
N-[3-(azepane-1-carbonyl)phenyl]-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822838
2-(4-hexoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54821096
2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54809150
2-[3-(2-methylprop-2-enoxy)anilino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54826101
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
2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54842850
N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554
N-(4-prop-2-enoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841091
N-(4-butoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841009

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide (CID 54824283) is 2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide is C=C(C)COc1ccc(NCC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1.
What is the InChIKey of 2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is PNXCORPJWOFUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-18(2)17-30-22-11-9-20(10-12-22)25-16-23(28)26-21-8-6-7-19(15-21)24(29)27-13-4-3-5-14-27/h6-12,15,25H,1,3-5,13-14,16-17H2,2H3,(H,26,28).
What are the key properties of 2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide?
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]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 2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54824283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).