1-ethyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]imidazole-2-carboxamide

C19H23N3O2 — CID 129487670

IUPAC1-ethyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]imidazole-2-carboxamide
SMILESCCn1ccnc1C(=O)N[C@@H]1c2ccccc2CC12CCOCC2
InChIInChI=1S/C19H23N3O2/c1-2-22-10-9-20-17(22)18(23)21-16-15-6-4-3-5-14(15)13-19(16)7-11-24-12-8-19/h3-6,9-10,16H,2,7-8,11-13H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyIPLVSSOFKLLACE-MRXNPFEDSA-N
MW325.41 g/mol
LogP2.73
Rot. Bonds3

About 1-ethyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]imidazole-2-carboxamide

1-ethyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]imidazole-2-carboxamide (PubChem CID 129487670) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-ethyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]imidazole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]imidazole-2-carboxamide
PubChem CID129487670
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-ethyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]imidazole-2-carboxamide
SMILESCCn1ccnc1C(=O)N[C@@H]1c2ccccc2CC12CCOCC2
InChIInChI=1S/C19H23N3O2/c1-2-22-10-9-20-17(22)18(23)21-16-15-6-4-3-5-14(15)13-19(16)7-11-24-12-8-19/h3-6,9-10,16H,2,7-8,11-13H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyIPLVSSOFKLLACE-MRXNPFEDSA-N
XLogP2.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]imidazole-2-carboxamide?
The IUPAC name of 1-ethyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]imidazole-2-carboxamide (CID 129487670) is 1-ethyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]imidazole-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]imidazole-2-carboxamide?
The canonical SMILES for 1-ethyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]imidazole-2-carboxamide is CCn1ccnc1C(=O)N[C@@H]1c2ccccc2CC12CCOCC2.
What is the InChIKey of 1-ethyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]imidazole-2-carboxamide?
The InChIKey is IPLVSSOFKLLACE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-22-10-9-20-17(22)18(23)21-16-15-6-4-3-5-14(15)13-19(16)7-11-24-12-8-19/h3-6,9-10,16H,2,7-8,11-13H2,1H3,(H,21,23)/t16-/m1/s1.
What are the key properties of 1-ethyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]imidazole-2-carboxamide?
1-ethyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]imidazole-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1S)-spiro[1,3-dihydroindene-2,4'-oxane]-1-yl]imidazole-2-carboxamide is sourced from PubChem (CID 129487670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).