N-benzyl-2-ethyl-N-(2-methoxyethyl)pyrrolidine-2-carboxamide

C17H26N2O2 — CID 83063903

IUPACN-benzyl-2-ethyl-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)N(CCOC)Cc2ccccc2)CCCN1
InChIInChI=1S/C17H26N2O2/c1-3-17(10-7-11-18-17)16(20)19(12-13-21-2)14-15-8-5-4-6-9-15/h4-6,8-9,18H,3,7,10-14H2,1-2H3
InChIKeyMCEGBVPGHAYMTH-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.19
Rot. Bonds7

About N-benzyl-2-ethyl-N-(2-methoxyethyl)pyrrolidine-2-carboxamide

N-benzyl-2-ethyl-N-(2-methoxyethyl)pyrrolidine-2-carboxamide (PubChem CID 83063903) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-benzyl-2-ethyl-N-(2-methoxyethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-ethyl-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
PubChem CID83063903
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-benzyl-2-ethyl-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)N(CCOC)Cc2ccccc2)CCCN1
InChIInChI=1S/C17H26N2O2/c1-3-17(10-7-11-18-17)16(20)19(12-13-21-2)14-15-8-5-4-6-9-15/h4-6,8-9,18H,3,7,10-14H2,1-2H3
InChIKeyMCEGBVPGHAYMTH-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-ethyl-N-(2-methoxyethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-benzyl-2-ethyl-N-(2-methoxyethyl)pyrrolidine-2-carboxamide (CID 83063903) is N-benzyl-2-ethyl-N-(2-methoxyethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-benzyl-2-ethyl-N-(2-methoxyethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-benzyl-2-ethyl-N-(2-methoxyethyl)pyrrolidine-2-carboxamide is CCC1(C(=O)N(CCOC)Cc2ccccc2)CCCN1.
What is the InChIKey of N-benzyl-2-ethyl-N-(2-methoxyethyl)pyrrolidine-2-carboxamide?
The InChIKey is MCEGBVPGHAYMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-17(10-7-11-18-17)16(20)19(12-13-21-2)14-15-8-5-4-6-9-15/h4-6,8-9,18H,3,7,10-14H2,1-2H3.
What are the key properties of N-benzyl-2-ethyl-N-(2-methoxyethyl)pyrrolidine-2-carboxamide?
N-benzyl-2-ethyl-N-(2-methoxyethyl)pyrrolidine-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-ethyl-N-(2-methoxyethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 83063903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).