N-(2-amino-5-methoxyphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide

C14H17N3O4 — CID 119421736

IUPACN-(2-amino-5-methoxyphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCOc1ccc(N)c(NC(=O)CCN2C(=O)CCC2=O)c1
InChIInChI=1S/C14H17N3O4/c1-21-9-2-3-10(15)11(8-9)16-12(18)6-7-17-13(19)4-5-14(17)20/h2-3,8H,4-7,15H2,1H3,(H,16,18)
InChIKeyVKBAAJNYAZDUNA-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.75
Rot. Bonds5

About N-(2-amino-5-methoxyphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide

N-(2-amino-5-methoxyphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 119421736) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID119421736
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC NameN-(2-amino-5-methoxyphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCOc1ccc(N)c(NC(=O)CCN2C(=O)CCC2=O)c1
InChIInChI=1S/C14H17N3O4/c1-21-9-2-3-10(15)11(8-9)16-12(18)6-7-17-13(19)4-5-14(17)20/h2-3,8H,4-7,15H2,1H3,(H,16,18)
InChIKeyVKBAAJNYAZDUNA-UHFFFAOYSA-N
XLogP0.75
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 119421736) is N-(2-amino-5-methoxyphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide is COc1ccc(N)c(NC(=O)CCN2C(=O)CCC2=O)c1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is VKBAAJNYAZDUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-21-9-2-3-10(15)11(8-9)16-12(18)6-7-17-13(19)4-5-14(17)20/h2-3,8H,4-7,15H2,1H3,(H,16,18).
What are the key properties of N-(2-amino-5-methoxyphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-(2-amino-5-methoxyphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 291.31 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 119421736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).