N-(3-acetamidopropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide

C16H21N3O3 — CID 110630711

IUPACN-(3-acetamidopropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
SMILESCC(=O)NCCCNC(=O)C1CCC(=O)N1c1ccccc1
InChIInChI=1S/C16H21N3O3/c1-12(20)17-10-5-11-18-16(22)14-8-9-15(21)19(14)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3,(H,17,20)(H,18,22)
InChIKeyWKMMKRNUCVDXPN-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.82
Rot. Bonds6

About N-(3-acetamidopropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide

N-(3-acetamidopropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide (PubChem CID 110630711) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(3-acetamidopropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidopropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
PubChem CID110630711
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(3-acetamidopropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
SMILESCC(=O)NCCCNC(=O)C1CCC(=O)N1c1ccccc1
InChIInChI=1S/C16H21N3O3/c1-12(20)17-10-5-11-18-16(22)14-8-9-15(21)19(14)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3,(H,17,20)(H,18,22)
InChIKeyWKMMKRNUCVDXPN-UHFFFAOYSA-N
XLogP0.82
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidopropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3-acetamidopropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide (CID 110630711) is N-(3-acetamidopropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-acetamidopropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-acetamidopropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide is CC(=O)NCCCNC(=O)C1CCC(=O)N1c1ccccc1.
What is the InChIKey of N-(3-acetamidopropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The InChIKey is WKMMKRNUCVDXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-12(20)17-10-5-11-18-16(22)14-8-9-15(21)19(14)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3,(H,17,20)(H,18,22).
What are the key properties of N-(3-acetamidopropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide?
N-(3-acetamidopropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidopropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110630711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).