N-(1-benzyl-4-methylpyrrolidin-3-yl)oxane-4-carboxamide

C18H26N2O2 — CID 75507920

IUPACN-(1-benzyl-4-methylpyrrolidin-3-yl)oxane-4-carboxamide
SMILESCC1CN(Cc2ccccc2)CC1NC(=O)C1CCOCC1
InChIInChI=1S/C18H26N2O2/c1-14-11-20(12-15-5-3-2-4-6-15)13-17(14)19-18(21)16-7-9-22-10-8-16/h2-6,14,16-17H,7-13H2,1H3,(H,19,21)
InChIKeyPTNFNJSPAZPVQX-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.05
Rot. Bonds4

About N-(1-benzyl-4-methylpyrrolidin-3-yl)oxane-4-carboxamide

N-(1-benzyl-4-methylpyrrolidin-3-yl)oxane-4-carboxamide (PubChem CID 75507920) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(1-benzyl-4-methylpyrrolidin-3-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-4-methylpyrrolidin-3-yl)oxane-4-carboxamide
PubChem CID75507920
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-(1-benzyl-4-methylpyrrolidin-3-yl)oxane-4-carboxamide
SMILESCC1CN(Cc2ccccc2)CC1NC(=O)C1CCOCC1
InChIInChI=1S/C18H26N2O2/c1-14-11-20(12-15-5-3-2-4-6-15)13-17(14)19-18(21)16-7-9-22-10-8-16/h2-6,14,16-17H,7-13H2,1H3,(H,19,21)
InChIKeyPTNFNJSPAZPVQX-UHFFFAOYSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4-methylpyrrolidin-3-yl)oxane-4-carboxamide?
The IUPAC name of N-(1-benzyl-4-methylpyrrolidin-3-yl)oxane-4-carboxamide (CID 75507920) is N-(1-benzyl-4-methylpyrrolidin-3-yl)oxane-4-carboxamide.
What is the SMILES notation for N-(1-benzyl-4-methylpyrrolidin-3-yl)oxane-4-carboxamide?
The canonical SMILES for N-(1-benzyl-4-methylpyrrolidin-3-yl)oxane-4-carboxamide is CC1CN(Cc2ccccc2)CC1NC(=O)C1CCOCC1.
What is the InChIKey of N-(1-benzyl-4-methylpyrrolidin-3-yl)oxane-4-carboxamide?
The InChIKey is PTNFNJSPAZPVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14-11-20(12-15-5-3-2-4-6-15)13-17(14)19-18(21)16-7-9-22-10-8-16/h2-6,14,16-17H,7-13H2,1H3,(H,19,21).
What are the key properties of N-(1-benzyl-4-methylpyrrolidin-3-yl)oxane-4-carboxamide?
N-(1-benzyl-4-methylpyrrolidin-3-yl)oxane-4-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4-methylpyrrolidin-3-yl)oxane-4-carboxamide is sourced from PubChem (CID 75507920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).