1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide

C20H30N2O2 — CID 71956316

IUPAC1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1CN(C(=O)CC(C)(C)C)CC1c1ccccc1
InChIInChI=1S/C20H30N2O2/c1-14(2)21-19(24)17-13-22(18(23)11-20(3,4)5)12-16(17)15-9-7-6-8-10-15/h6-10,14,16-17H,11-13H2,1-5H3,(H,21,24)
InChIKeyVJJQESRSJQBGKQ-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.19
Rot. Bonds4

About 1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide

1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 71956316) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID71956316
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1CN(C(=O)CC(C)(C)C)CC1c1ccccc1
InChIInChI=1S/C20H30N2O2/c1-14(2)21-19(24)17-13-22(18(23)11-20(3,4)5)12-16(17)15-9-7-6-8-10-15/h6-10,14,16-17H,11-13H2,1-5H3,(H,21,24)
InChIKeyVJJQESRSJQBGKQ-UHFFFAOYSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide (CID 71956316) is 1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide is CC(C)NC(=O)C1CN(C(=O)CC(C)(C)C)CC1c1ccccc1.
What is the InChIKey of 1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is VJJQESRSJQBGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-14(2)21-19(24)17-13-22(18(23)11-20(3,4)5)12-16(17)15-9-7-6-8-10-15/h6-10,14,16-17H,11-13H2,1-5H3,(H,21,24).
What are the key properties of 1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide?
1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutanoyl)-4-phenyl-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 71956316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).