N-cyclopentyl-1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide

C22H28N2O3 — CID 110220241

IUPACN-cyclopentyl-1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide
SMILESCC12CCC(CC1C(=O)NC1CCCC1)C1(C2)NC(=O)c2ccccc2O1
InChIInChI=1S/C22H28N2O3/c1-21-11-10-14(12-17(21)20(26)23-15-6-2-3-7-15)22(13-21)24-19(25)16-8-4-5-9-18(16)27-22/h4-5,8-9,14-15,17H,2-3,6-7,10-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyGGKZORPAOVLMKI-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.39
Rot. Bonds2

About N-cyclopentyl-1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide

N-cyclopentyl-1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide (PubChem CID 110220241) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-cyclopentyl-1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide
PubChem CID110220241
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-cyclopentyl-1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide
SMILESCC12CCC(CC1C(=O)NC1CCCC1)C1(C2)NC(=O)c2ccccc2O1
InChIInChI=1S/C22H28N2O3/c1-21-11-10-14(12-17(21)20(26)23-15-6-2-3-7-15)22(13-21)24-19(25)16-8-4-5-9-18(16)27-22/h4-5,8-9,14-15,17H,2-3,6-7,10-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyGGKZORPAOVLMKI-UHFFFAOYSA-N
XLogP3.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide?
The IUPAC name of N-cyclopentyl-1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide (CID 110220241) is N-cyclopentyl-1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide.
What is the SMILES notation for N-cyclopentyl-1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide?
The canonical SMILES for N-cyclopentyl-1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide is CC12CCC(CC1C(=O)NC1CCCC1)C1(C2)NC(=O)c2ccccc2O1.
What is the InChIKey of N-cyclopentyl-1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide?
The InChIKey is GGKZORPAOVLMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-21-11-10-14(12-17(21)20(26)23-15-6-2-3-7-15)22(13-21)24-19(25)16-8-4-5-9-18(16)27-22/h4-5,8-9,14-15,17H,2-3,6-7,10-13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-cyclopentyl-1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide?
N-cyclopentyl-1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide is sourced from PubChem (CID 110220241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).