N-(4-prop-2-enoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide

C22H25N3O3 — CID 54841091

IUPACN-(4-prop-2-enoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESC=CCOc1ccc(NC(=O)CNc2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C22H25N3O3/c1-2-14-28-20-10-8-18(9-11-20)24-21(26)16-23-19-7-5-6-17(15-19)22(27)25-12-3-4-13-25/h2,5-11,15,23H,1,3-4,12-14,16H2,(H,24,26)
InChIKeyCXPWXMMOUYDDQL-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.54
Rot. Bonds8

About N-(4-prop-2-enoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide

N-(4-prop-2-enoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide (PubChem CID 54841091) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(4-prop-2-enoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-(4-prop-2-enoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
PubChem CID54841091
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-(4-prop-2-enoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESC=CCOc1ccc(NC(=O)CNc2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C22H25N3O3/c1-2-14-28-20-10-8-18(9-11-20)24-21(26)16-23-19-7-5-6-17(15-19)22(27)25-12-3-4-13-25/h2,5-11,15,23H,1,3-4,12-14,16H2,(H,24,26)
InChIKeyCXPWXMMOUYDDQL-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

N-(4-butoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841009
N-(4-hexoxyphenyl)-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843402
N-[3-(azepane-1-carbonyl)phenyl]-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822838
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54824283
2-[3-(azepane-1-carbonyl)anilino]-N-(4-chlorophenyl)acetamide
CID 54841635
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843525
2-(4-methoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54812026
2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54809150
N-(3-methoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085005
N-(3,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085577
N-(4-ethoxyphenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843517

Frequently Asked Questions

What is the IUPAC name of N-(4-prop-2-enoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-(4-prop-2-enoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide (CID 54841091) is N-(4-prop-2-enoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-(4-prop-2-enoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-(4-prop-2-enoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide is C=CCOc1ccc(NC(=O)CNc2cccc(C(=O)N3CCCC3)c2)cc1.
What is the InChIKey of N-(4-prop-2-enoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
The InChIKey is CXPWXMMOUYDDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-2-14-28-20-10-8-18(9-11-20)24-21(26)16-23-19-7-5-6-17(15-19)22(27)25-12-3-4-13-25/h2,5-11,15,23H,1,3-4,12-14,16H2,(H,24,26).
What are the key properties of N-(4-prop-2-enoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
N-(4-prop-2-enoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]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 N-(4-prop-2-enoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 54841091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).