2-(2-prop-2-enoxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide

C22H25N3O3 — CID 54824460

IUPAC2-(2-prop-2-enoxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESC=CCOc1ccccc1NCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C22H25N3O3/c1-2-15-28-20-8-4-3-7-19(20)23-16-21(26)24-18-11-9-17(10-12-18)22(27)25-13-5-6-14-25/h2-4,7-12,23H,1,5-6,13-16H2,(H,24,26)
InChIKeyROGBVMTVGVXZOS-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.54
Rot. Bonds8

About 2-(2-prop-2-enoxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-(2-prop-2-enoxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 54824460) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(2-prop-2-enoxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-prop-2-enoxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID54824460
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-(2-prop-2-enoxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESC=CCOc1ccccc1NCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C22H25N3O3/c1-2-15-28-20-8-4-3-7-19(20)23-16-21(26)24-18-11-9-17(10-12-18)22(27)25-13-5-6-14-25/h2-4,7-12,23H,1,5-6,13-16H2,(H,24,26)
InChIKeyROGBVMTVGVXZOS-UHFFFAOYSA-N
XLogP3.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.54
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-(2-methoxyanilino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 54817219
2-(2-propan-2-yloxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54831212
N-methyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824363
2-[4-(azepane-1-carbonyl)anilino]-N-(2-ethoxyphenyl)acetamide
CID 54835054
N-(4-prop-2-enoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841091
2-[4-(azepane-1-carbonyl)anilino]-N-(2-phenylmethoxyphenyl)acetamide
CID 54834877
2-anilino-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119702402
N-[4-(2-phenoxyethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide
CID 54824592
N-[2-(2-methylpropoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841714
2-[4-(azepane-1-carbonyl)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54835286
N-[4-(2-phenoxyethoxy)phenyl]-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834026
N-(3-chloro-4-methylphenyl)-2-(2-prop-2-enoxyanilino)acetamide
CID 54824696

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enoxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(2-prop-2-enoxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 54824460) is 2-(2-prop-2-enoxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-prop-2-enoxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(2-prop-2-enoxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide is C=CCOc1ccccc1NCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(2-prop-2-enoxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is ROGBVMTVGVXZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-2-15-28-20-8-4-3-7-19(20)23-16-21(26)24-18-11-9-17(10-12-18)22(27)25-13-5-6-14-25/h2-4,7-12,23H,1,5-6,13-16H2,(H,24,26).
What are the key properties of 2-(2-prop-2-enoxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-(2-prop-2-enoxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 379.46 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enoxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54824460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).