N-(3-acetamidophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide

C19H25N3O3 — CID 2984958

IUPACN-(3-acetamidophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CC(=O)N(C3CCCCC3)C2)c1
InChIInChI=1S/C19H25N3O3/c1-13(23)20-15-6-5-7-16(11-15)21-19(25)14-10-18(24)22(12-14)17-8-3-2-4-9-17/h5-7,11,14,17H,2-4,8-10,12H2,1H3,(H,20,23)(H,21,25)
InChIKeyUCHNOGJQWBWLHE-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.76
Rot. Bonds4

About N-(3-acetamidophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide

N-(3-acetamidophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 2984958) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
PubChem CID2984958
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-(3-acetamidophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CC(=O)N(C3CCCCC3)C2)c1
InChIInChI=1S/C19H25N3O3/c1-13(23)20-15-6-5-7-16(11-15)21-19(25)14-10-18(24)22(12-14)17-8-3-2-4-9-17/h5-7,11,14,17H,2-4,8-10,12H2,1H3,(H,20,23)(H,21,25)
InChIKeyUCHNOGJQWBWLHE-UHFFFAOYSA-N
XLogP2.76
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide (CID 2984958) is N-(3-acetamidophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide is CC(=O)Nc1cccc(NC(=O)C2CC(=O)N(C3CCCCC3)C2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UCHNOGJQWBWLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(23)20-15-6-5-7-16(11-15)21-19(25)14-10-18(24)22(12-14)17-8-3-2-4-9-17/h5-7,11,14,17H,2-4,8-10,12H2,1H3,(H,20,23)(H,21,25).
What are the key properties of N-(3-acetamidophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
N-(3-acetamidophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2984958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).