N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]morpholine-3-carboxamide

C13H25N3O3 — CID 119874815

IUPACN-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]morpholine-3-carboxamide
SMILESCOCCN1CCCC1CNC(=O)C1COCCN1
InChIInChI=1S/C13H25N3O3/c1-18-8-6-16-5-2-3-11(16)9-15-13(17)12-10-19-7-4-14-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyBFPLEVMQVIKNPG-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.80
Rot. Bonds6

About N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]morpholine-3-carboxamide

N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]morpholine-3-carboxamide (PubChem CID 119874815) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]morpholine-3-carboxamide
PubChem CID119874815
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC NameN-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]morpholine-3-carboxamide
SMILESCOCCN1CCCC1CNC(=O)C1COCCN1
InChIInChI=1S/C13H25N3O3/c1-18-8-6-16-5-2-3-11(16)9-15-13(17)12-10-19-7-4-14-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyBFPLEVMQVIKNPG-UHFFFAOYSA-N
XLogP-0.80
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]morpholine-3-carboxamide?
The IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]morpholine-3-carboxamide (CID 119874815) is N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]morpholine-3-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]morpholine-3-carboxamide is COCCN1CCCC1CNC(=O)C1COCCN1.
What is the InChIKey of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]morpholine-3-carboxamide?
The InChIKey is BFPLEVMQVIKNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-18-8-6-16-5-2-3-11(16)9-15-13(17)12-10-19-7-4-14-12/h11-12,14H,2-10H2,1H3,(H,15,17).
What are the key properties of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]morpholine-3-carboxamide?
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]morpholine-3-carboxamide has a molecular weight of 271.36 g/mol, XLogP of -0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 119874815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).