4-amino-5-(3-methoxy-4-propoxyphenyl)-1-propylpyrrolidin-2-one

C17H26N2O3 — CID 82193078

IUPAC4-amino-5-(3-methoxy-4-propoxyphenyl)-1-propylpyrrolidin-2-one
SMILESCCCOc1ccc(C2C(N)CC(=O)N2CCC)cc1OC
InChIInChI=1S/C17H26N2O3/c1-4-8-19-16(20)11-13(18)17(19)12-6-7-14(22-9-5-2)15(10-12)21-3/h6-7,10,13,17H,4-5,8-9,11,18H2,1-3H3
InChIKeyJKSJHIAFPARILR-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.49
Rot. Bonds7

About 4-amino-5-(3-methoxy-4-propoxyphenyl)-1-propylpyrrolidin-2-one

4-amino-5-(3-methoxy-4-propoxyphenyl)-1-propylpyrrolidin-2-one (PubChem CID 82193078) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-amino-5-(3-methoxy-4-propoxyphenyl)-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-5-(3-methoxy-4-propoxyphenyl)-1-propylpyrrolidin-2-one
PubChem CID82193078
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name4-amino-5-(3-methoxy-4-propoxyphenyl)-1-propylpyrrolidin-2-one
SMILESCCCOc1ccc(C2C(N)CC(=O)N2CCC)cc1OC
InChIInChI=1S/C17H26N2O3/c1-4-8-19-16(20)11-13(18)17(19)12-6-7-14(22-9-5-2)15(10-12)21-3/h6-7,10,13,17H,4-5,8-9,11,18H2,1-3H3
InChIKeyJKSJHIAFPARILR-UHFFFAOYSA-N
XLogP2.49
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-(3-methoxy-4-propoxyphenyl)-1-propan-2-ylpyrrolidin-2-one
CID 82193066
4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-ethylpyrrolidin-2-one
CID 82193039
4-amino-5-(3,4-dimethoxyphenyl)-1-(3-methoxypropyl)pyrrolidin-2-one
CID 82193192
4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 82193026
4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-(2-methylpropyl)pyrrolidin-2-one
CID 82193088
5-amino-6-(4-ethoxy-3-methoxyphenyl)-1-ethylpiperidin-2-one
CID 82193334
4-amino-5-(3,5-difluorophenyl)-1-propylpyrrolidin-2-one
CID 106534351
5-amino-6-(3-ethoxy-4-methoxyphenyl)-1-methylpiperidin-2-one
CID 82193325
ethyl 6-(3-methoxy-4-propoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2863468
5-amino-6-(3-methoxy-4-propan-2-yloxyphenyl)-1-methylpiperidin-2-one
CID 82193322
(4R,5S)-4-amino-5-(4-chloro-3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-2-one
CID 95359023
6-(3-methoxy-4-propoxyphenyl)-3,4-dimethyl-5-nitro-1,6-dihydropyrimidin-2-one
CID 3396534

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(3-methoxy-4-propoxyphenyl)-1-propylpyrrolidin-2-one?
The IUPAC name of 4-amino-5-(3-methoxy-4-propoxyphenyl)-1-propylpyrrolidin-2-one (CID 82193078) is 4-amino-5-(3-methoxy-4-propoxyphenyl)-1-propylpyrrolidin-2-one.
What is the SMILES notation for 4-amino-5-(3-methoxy-4-propoxyphenyl)-1-propylpyrrolidin-2-one?
The canonical SMILES for 4-amino-5-(3-methoxy-4-propoxyphenyl)-1-propylpyrrolidin-2-one is CCCOc1ccc(C2C(N)CC(=O)N2CCC)cc1OC.
What is the InChIKey of 4-amino-5-(3-methoxy-4-propoxyphenyl)-1-propylpyrrolidin-2-one?
The InChIKey is JKSJHIAFPARILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-8-19-16(20)11-13(18)17(19)12-6-7-14(22-9-5-2)15(10-12)21-3/h6-7,10,13,17H,4-5,8-9,11,18H2,1-3H3.
What are the key properties of 4-amino-5-(3-methoxy-4-propoxyphenyl)-1-propylpyrrolidin-2-one?
4-amino-5-(3-methoxy-4-propoxyphenyl)-1-propylpyrrolidin-2-one has a molecular weight of 306.41 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(3-methoxy-4-propoxyphenyl)-1-propylpyrrolidin-2-one is sourced from PubChem (CID 82193078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).