N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide

C19H26N2O2 — CID 54768934

IUPACN-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESO=C(NC1C[C@H]2CC[C@@H](C1)N2CC1CCCO1)c1ccccc1
InChIInChI=1S/C19H26N2O2/c22-19(14-5-2-1-3-6-14)20-15-11-16-8-9-17(12-15)21(16)13-18-7-4-10-23-18/h1-3,5-6,15-18H,4,7-13H2,(H,20,22)/t15?,16-,17+,18?
InChIKeyMKDFWWSSCBFLQD-ZTOOSOLZSA-N
MW314.43 g/mol
LogP2.59
Rot. Bonds4

About N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide

N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide (PubChem CID 54768934) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide.

Molecular Properties

Compound NameN-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
PubChem CID54768934
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESO=C(NC1C[C@H]2CC[C@@H](C1)N2CC1CCCO1)c1ccccc1
InChIInChI=1S/C19H26N2O2/c22-19(14-5-2-1-3-6-14)20-15-11-16-8-9-17(12-15)21(16)13-18-7-4-10-23-18/h1-3,5-6,15-18H,4,7-13H2,(H,20,22)/t15?,16-,17+,18?
InChIKeyMKDFWWSSCBFLQD-ZTOOSOLZSA-N
XLogP2.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The IUPAC name of N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide (CID 54768934) is N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide.
What is the SMILES notation for N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The canonical SMILES for N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide is O=C(NC1C[C@H]2CC[C@@H](C1)N2CC1CCCO1)c1ccccc1.
What is the InChIKey of N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The InChIKey is MKDFWWSSCBFLQD-ZTOOSOLZSA-N. The full InChI is InChI=1S/C19H26N2O2/c22-19(14-5-2-1-3-6-14)20-15-11-16-8-9-17(12-15)21(16)13-18-7-4-10-23-18/h1-3,5-6,15-18H,4,7-13H2,(H,20,22)/t15?,16-,17+,18?.
What are the key properties of N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide has a molecular weight of 314.43 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-8-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide is sourced from PubChem (CID 54768934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).