(1R,5S)-N-[(1R)-1-cyclohexylethyl]-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide

C20H32N2O3 — CID 10871765

IUPAC(1R,5S)-N-[(1R)-1-cyclohexylethyl]-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESC[C@@H](NC(=O)C1(C)C[C@@]2(C)C[C@@](C)(C1)C(=O)NC2=O)C1CCCCC1
InChIInChI=1S/C20H32N2O3/c1-13(14-8-6-5-7-9-14)21-15(23)18(2)10-19(3)12-20(4,11-18)17(25)22-16(19)24/h13-14H,5-12H2,1-4H3,(H,21,23)(H,22,24,25)/t13-,18?,19-,20+/m1/s1
InChIKeyCVFWUEDDXLVQRZ-CIXBDGESSA-N
MW348.49 g/mol
LogP2.93
Rot. Bonds3

About (1R,5S)-N-[(1R)-1-cyclohexylethyl]-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide

(1R,5S)-N-[(1R)-1-cyclohexylethyl]-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide (PubChem CID 10871765) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is (1R,5S)-N-[(1R)-1-cyclohexylethyl]-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-[(1R)-1-cyclohexylethyl]-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
PubChem CID10871765
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name(1R,5S)-N-[(1R)-1-cyclohexylethyl]-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
SMILESC[C@@H](NC(=O)C1(C)C[C@@]2(C)C[C@@](C)(C1)C(=O)NC2=O)C1CCCCC1
InChIInChI=1S/C20H32N2O3/c1-13(14-8-6-5-7-9-14)21-15(23)18(2)10-19(3)12-20(4,11-18)17(25)22-16(19)24/h13-14H,5-12H2,1-4H3,(H,21,23)(H,22,24,25)/t13-,18?,19-,20+/m1/s1
InChIKeyCVFWUEDDXLVQRZ-CIXBDGESSA-N
XLogP2.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-[(1R)-1-cyclohexylethyl]-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The IUPAC name of (1R,5S)-N-[(1R)-1-cyclohexylethyl]-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide (CID 10871765) is (1R,5S)-N-[(1R)-1-cyclohexylethyl]-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide.
What is the SMILES notation for (1R,5S)-N-[(1R)-1-cyclohexylethyl]-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The canonical SMILES for (1R,5S)-N-[(1R)-1-cyclohexylethyl]-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide is C[C@@H](NC(=O)C1(C)C[C@@]2(C)C[C@@](C)(C1)C(=O)NC2=O)C1CCCCC1.
What is the InChIKey of (1R,5S)-N-[(1R)-1-cyclohexylethyl]-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
The InChIKey is CVFWUEDDXLVQRZ-CIXBDGESSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-13(14-8-6-5-7-9-14)21-15(23)18(2)10-19(3)12-20(4,11-18)17(25)22-16(19)24/h13-14H,5-12H2,1-4H3,(H,21,23)(H,22,24,25)/t13-,18?,19-,20+/m1/s1.
What are the key properties of (1R,5S)-N-[(1R)-1-cyclohexylethyl]-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide?
(1R,5S)-N-[(1R)-1-cyclohexylethyl]-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-[(1R)-1-cyclohexylethyl]-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide is sourced from PubChem (CID 10871765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).