N-[(5S)-9-propan-2-yl-3-oxa-9-azaspiro[5.5]undecan-5-yl]benzamide

C19H28N2O2 — CID 97483798

IUPACN-[(5S)-9-propan-2-yl-3-oxa-9-azaspiro[5.5]undecan-5-yl]benzamide
SMILESCC(C)N1CCC2(CCOC[C@H]2NC(=O)c2ccccc2)CC1
InChIInChI=1S/C19H28N2O2/c1-15(2)21-11-8-19(9-12-21)10-13-23-14-17(19)20-18(22)16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyQBEKFDYXWUOROZ-QGZVFWFLSA-N
MW316.44 g/mol
LogP2.70
Rot. Bonds3

About N-[(5S)-9-propan-2-yl-3-oxa-9-azaspiro[5.5]undecan-5-yl]benzamide

N-[(5S)-9-propan-2-yl-3-oxa-9-azaspiro[5.5]undecan-5-yl]benzamide (PubChem CID 97483798) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-[(5S)-9-propan-2-yl-3-oxa-9-azaspiro[5.5]undecan-5-yl]benzamide.

Molecular Properties

Compound NameN-[(5S)-9-propan-2-yl-3-oxa-9-azaspiro[5.5]undecan-5-yl]benzamide
PubChem CID97483798
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-[(5S)-9-propan-2-yl-3-oxa-9-azaspiro[5.5]undecan-5-yl]benzamide
SMILESCC(C)N1CCC2(CCOC[C@H]2NC(=O)c2ccccc2)CC1
InChIInChI=1S/C19H28N2O2/c1-15(2)21-11-8-19(9-12-21)10-13-23-14-17(19)20-18(22)16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyQBEKFDYXWUOROZ-QGZVFWFLSA-N
XLogP2.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5S)-9-propan-2-yl-3-oxa-9-azaspiro[5.5]undecan-5-yl]benzamide?
The IUPAC name of N-[(5S)-9-propan-2-yl-3-oxa-9-azaspiro[5.5]undecan-5-yl]benzamide (CID 97483798) is N-[(5S)-9-propan-2-yl-3-oxa-9-azaspiro[5.5]undecan-5-yl]benzamide.
What is the SMILES notation for N-[(5S)-9-propan-2-yl-3-oxa-9-azaspiro[5.5]undecan-5-yl]benzamide?
The canonical SMILES for N-[(5S)-9-propan-2-yl-3-oxa-9-azaspiro[5.5]undecan-5-yl]benzamide is CC(C)N1CCC2(CCOC[C@H]2NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[(5S)-9-propan-2-yl-3-oxa-9-azaspiro[5.5]undecan-5-yl]benzamide?
The InChIKey is QBEKFDYXWUOROZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15(2)21-11-8-19(9-12-21)10-13-23-14-17(19)20-18(22)16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3,(H,20,22)/t17-/m1/s1.
What are the key properties of N-[(5S)-9-propan-2-yl-3-oxa-9-azaspiro[5.5]undecan-5-yl]benzamide?
N-[(5S)-9-propan-2-yl-3-oxa-9-azaspiro[5.5]undecan-5-yl]benzamide has a molecular weight of 316.44 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-9-propan-2-yl-3-oxa-9-azaspiro[5.5]undecan-5-yl]benzamide is sourced from PubChem (CID 97483798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).