1-methyl-N-(2-naphthalen-1-ylpropan-2-yl)pyrrolidine-3-carboxamide

C19H24N2O — CID 122450635

IUPAC1-methyl-N-(2-naphthalen-1-ylpropan-2-yl)pyrrolidine-3-carboxamide
SMILESCN1CCC(C(=O)NC(C)(C)c2cccc3ccccc23)C1
InChIInChI=1S/C19H24N2O/c1-19(2,20-18(22)15-11-12-21(3)13-15)17-10-6-8-14-7-4-5-9-16(14)17/h4-10,15H,11-13H2,1-3H3,(H,20,22)
InChIKeyQDDMBKXHOCHLBE-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.14
Rot. Bonds3

About 1-methyl-N-(2-naphthalen-1-ylpropan-2-yl)pyrrolidine-3-carboxamide

1-methyl-N-(2-naphthalen-1-ylpropan-2-yl)pyrrolidine-3-carboxamide (PubChem CID 122450635) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-methyl-N-(2-naphthalen-1-ylpropan-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-naphthalen-1-ylpropan-2-yl)pyrrolidine-3-carboxamide
PubChem CID122450635
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-methyl-N-(2-naphthalen-1-ylpropan-2-yl)pyrrolidine-3-carboxamide
SMILESCN1CCC(C(=O)NC(C)(C)c2cccc3ccccc23)C1
InChIInChI=1S/C19H24N2O/c1-19(2,20-18(22)15-11-12-21(3)13-15)17-10-6-8-14-7-4-5-9-16(14)17/h4-10,15H,11-13H2,1-3H3,(H,20,22)
InChIKeyQDDMBKXHOCHLBE-UHFFFAOYSA-N
XLogP3.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-naphthalen-1-ylpropan-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-methyl-N-(2-naphthalen-1-ylpropan-2-yl)pyrrolidine-3-carboxamide (CID 122450635) is 1-methyl-N-(2-naphthalen-1-ylpropan-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-naphthalen-1-ylpropan-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-methyl-N-(2-naphthalen-1-ylpropan-2-yl)pyrrolidine-3-carboxamide is CN1CCC(C(=O)NC(C)(C)c2cccc3ccccc23)C1.
What is the InChIKey of 1-methyl-N-(2-naphthalen-1-ylpropan-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is QDDMBKXHOCHLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-19(2,20-18(22)15-11-12-21(3)13-15)17-10-6-8-14-7-4-5-9-16(14)17/h4-10,15H,11-13H2,1-3H3,(H,20,22).
What are the key properties of 1-methyl-N-(2-naphthalen-1-ylpropan-2-yl)pyrrolidine-3-carboxamide?
1-methyl-N-(2-naphthalen-1-ylpropan-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-naphthalen-1-ylpropan-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 122450635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).