N,N-dimethyl-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carboxamide

C19H22N2O3 — CID 17438857

IUPACN,N-dimethyl-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)COc1cccc2ccccc12
InChIInChI=1S/C19H22N2O3/c1-20(2)19(23)16-10-6-12-21(16)18(22)13-24-17-11-5-8-14-7-3-4-9-15(14)17/h3-5,7-9,11,16H,6,10,12-13H2,1-2H3
InChIKeyCRQUNEHQJQYCHW-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.30
Rot. Bonds4

About N,N-dimethyl-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carboxamide

N,N-dimethyl-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carboxamide (PubChem CID 17438857) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carboxamide
PubChem CID17438857
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN,N-dimethyl-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)COc1cccc2ccccc12
InChIInChI=1S/C19H22N2O3/c1-20(2)19(23)16-10-6-12-21(16)18(22)13-24-17-11-5-8-14-7-3-4-9-15(14)17/h3-5,7-9,11,16H,6,10,12-13H2,1-2H3
InChIKeyCRQUNEHQJQYCHW-UHFFFAOYSA-N
XLogP2.30
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carboxamide (CID 17438857) is N,N-dimethyl-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1C(=O)COc1cccc2ccccc12.
What is the InChIKey of N,N-dimethyl-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carboxamide?
The InChIKey is CRQUNEHQJQYCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-20(2)19(23)16-10-6-12-21(16)18(22)13-24-17-11-5-8-14-7-3-4-9-15(14)17/h3-5,7-9,11,16H,6,10,12-13H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carboxamide?
N,N-dimethyl-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-naphthalen-1-yloxyacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 17438857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).