N-(6-amino-1,3-benzodioxol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride

C19H20ClN3O5 — CID 119618575

IUPACN-(6-amino-1,3-benzodioxol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride
SMILESCl.Nc1cc2c(cc1NC(=O)COc1ccc(N3CCCC3=O)cc1)OCO2
InChIInChI=1S/C19H19N3O5.ClH/c20-14-8-16-17(27-11-26-16)9-15(14)21-18(23)10-25-13-5-3-12(4-6-13)22-7-1-2-19(22)24;/h3-6,8-9H,1-2,7,10-11,20H2,(H,21,23);1H
InChIKeyNIHVJTKWCIMRKC-UHFFFAOYSA-N
MW405.84 g/mol
LogP2.56
Rot. Bonds5

About N-(6-amino-1,3-benzodioxol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride

N-(6-amino-1,3-benzodioxol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride (PubChem CID 119618575) has the molecular formula C19H20ClN3O5 and a molecular weight of 405.84 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride
PubChem CID119618575
Molecular FormulaC19H20ClN3O5
Molecular Weight405.84 g/mol
Exact Mass405.11
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride
SMILESCl.Nc1cc2c(cc1NC(=O)COc1ccc(N3CCCC3=O)cc1)OCO2
InChIInChI=1S/C19H19N3O5.ClH/c20-14-8-16-17(27-11-26-16)9-15(14)21-18(23)10-25-13-5-3-12(4-6-13)22-7-1-2-19(22)24;/h3-6,8-9H,1-2,7,10-11,20H2,(H,21,23);1H
InChIKeyNIHVJTKWCIMRKC-UHFFFAOYSA-N
XLogP2.56
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-1,3-benzodioxol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119618694
N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride
CID 119439937
N-(3,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26685964
N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119619025
2-(3,4-dimethylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716554
methyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate
CID 26685968
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-(3-phenoxyphenyl)acetamide
CID 55411979
N-(9H-fluoren-3-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26781987
N-[3-(aminomethyl)pentan-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119570570
2-(4-methoxyphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687329
ethyl 3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate
CID 32621761
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 46628924

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride (CID 119618575) is N-(6-amino-1,3-benzodioxol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride is Cl.Nc1cc2c(cc1NC(=O)COc1ccc(N3CCCC3=O)cc1)OCO2.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride?
The InChIKey is NIHVJTKWCIMRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5.ClH/c20-14-8-16-17(27-11-26-16)9-15(14)21-18(23)10-25-13-5-3-12(4-6-13)22-7-1-2-19(22)24;/h3-6,8-9H,1-2,7,10-11,20H2,(H,21,23);1H.
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride?
N-(6-amino-1,3-benzodioxol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride has a molecular weight of 405.84 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzodioxol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 119618575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).