1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidine-2,5-dione

C14H18N2O3 — CID 61237914

IUPAC1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidine-2,5-dione
SMILESCOc1ccc(C(N)CN2C(=O)CC(C)C2=O)cc1
InChIInChI=1S/C14H18N2O3/c1-9-7-13(17)16(14(9)18)8-12(15)10-3-5-11(19-2)6-4-10/h3-6,9,12H,7-8,15H2,1-2H3
InChIKeyUGVNKGNPODNMPP-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.09
Rot. Bonds4

About 1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidine-2,5-dione

1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 61237914) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidine-2,5-dione
PubChem CID61237914
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidine-2,5-dione
SMILESCOc1ccc(C(N)CN2C(=O)CC(C)C2=O)cc1
InChIInChI=1S/C14H18N2O3/c1-9-7-13(17)16(14(9)18)8-12(15)10-3-5-11(19-2)6-4-10/h3-6,9,12H,7-8,15H2,1-2H3
InChIKeyUGVNKGNPODNMPP-UHFFFAOYSA-N
XLogP1.09
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-amino-2-(4-methoxyphenyl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64834711
1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-2-one
CID 104680027
1-(2-amino-2-naphthalen-1-ylethyl)-3-methylpyrrolidine-2,5-dione
CID 61238092
1-[2-amino-2-(4-methylphenyl)ethyl]-4-methylpiperidine-2,6-dione
CID 79507026
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanamine
CID 61441376
(1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 30814031
1-(4-methoxyphenyl)-2-piperazin-1-ylethanamine
CID 82291368
methyl 2-bromo-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoate
CID 81092584
2-[2-amino-2-(4-methoxyphenyl)ethyl]pyridazin-3-one
CID 62849597
3-[2-amino-2-(4-methoxyphenyl)ethyl]pyrimidin-4-one
CID 63767954
1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylimidazol-2-one
CID 80581913
2-methoxy-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid
CID 106108334

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidine-2,5-dione (CID 61237914) is 1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidine-2,5-dione is COc1ccc(C(N)CN2C(=O)CC(C)C2=O)cc1.
What is the InChIKey of 1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is UGVNKGNPODNMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-7-13(17)16(14(9)18)8-12(15)10-3-5-11(19-2)6-4-10/h3-6,9,12H,7-8,15H2,1-2H3.
What are the key properties of 1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidine-2,5-dione?
1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 262.31 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 61237914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).