2-amino-N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide

C17H23N3O3 — CID 119752267

IUPAC2-amino-N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccccc1CN1C(=O)CCC1=O
InChIInChI=1S/C17H23N3O3/c1-3-11(2)16(18)17(23)19-13-7-5-4-6-12(13)10-20-14(21)8-9-15(20)22/h4-7,11,16H,3,8-10,18H2,1-2H3,(H,19,23)
InChIKeyYARLBJPCXRGUOO-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.65
Rot. Bonds6

About 2-amino-N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide

2-amino-N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide (PubChem CID 119752267) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-amino-N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide
PubChem CID119752267
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-amino-N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccccc1CN1C(=O)CCC1=O
InChIInChI=1S/C17H23N3O3/c1-3-11(2)16(18)17(23)19-13-7-5-4-6-12(13)10-20-14(21)8-9-15(20)22/h4-7,11,16H,3,8-10,18H2,1-2H3,(H,19,23)
InChIKeyYARLBJPCXRGUOO-UHFFFAOYSA-N
XLogP1.65
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide (CID 119752267) is 2-amino-N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide is CCC(C)C(N)C(=O)Nc1ccccc1CN1C(=O)CCC1=O.
What is the InChIKey of 2-amino-N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide?
The InChIKey is YARLBJPCXRGUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-11(2)16(18)17(23)19-13-7-5-4-6-12(13)10-20-14(21)8-9-15(20)22/h4-7,11,16H,3,8-10,18H2,1-2H3,(H,19,23).
What are the key properties of 2-amino-N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide?
2-amino-N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide has a molecular weight of 317.39 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide is sourced from PubChem (CID 119752267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).