N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylbenzamide

C17H26N2O2 — CID 51097547

IUPACN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylbenzamide
SMILESCOCCN1CCC(CNC(=O)c2cc(C)cc(C)c2)C1
InChIInChI=1S/C17H26N2O2/c1-13-8-14(2)10-16(9-13)17(20)18-11-15-4-5-19(12-15)6-7-21-3/h8-10,15H,4-7,11-12H2,1-3H3,(H,18,20)
InChIKeyIHFPLAFXRMQQKJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.00
Rot. Bonds6

About N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylbenzamide

N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylbenzamide (PubChem CID 51097547) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylbenzamide
PubChem CID51097547
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylbenzamide
SMILESCOCCN1CCC(CNC(=O)c2cc(C)cc(C)c2)C1
InChIInChI=1S/C17H26N2O2/c1-13-8-14(2)10-16(9-13)17(20)18-11-15-4-5-19(12-15)6-7-21-3/h8-10,15H,4-7,11-12H2,1-3H3,(H,18,20)
InChIKeyIHFPLAFXRMQQKJ-UHFFFAOYSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylbenzamide (CID 51097547) is N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylbenzamide is COCCN1CCC(CNC(=O)c2cc(C)cc(C)c2)C1.
What is the InChIKey of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylbenzamide?
The InChIKey is IHFPLAFXRMQQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-8-14(2)10-16(9-13)17(20)18-11-15-4-5-19(12-15)6-7-21-3/h8-10,15H,4-7,11-12H2,1-3H3,(H,18,20).
What are the key properties of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylbenzamide?
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylbenzamide has a molecular weight of 290.41 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 51097547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).