1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate

C15H18ClN3O3 — CID 67041483

IUPAC1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(Cl)cc1)OC1=NOC2(CCNCC2)C1
InChIInChI=1S/C15H18ClN3O3/c16-12-3-1-11(2-4-12)10-18-14(20)21-13-9-15(22-19-13)5-7-17-8-6-15/h1-4,17H,5-10H2,(H,18,20)
InChIKeyAQWQCTYVMVVSON-UHFFFAOYSA-N
MW323.78 g/mol
LogP2.42
Rot. Bonds2

About 1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate

1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate (PubChem CID 67041483) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is 1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate.

Molecular Properties

Compound Name1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate
PubChem CID67041483
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(Cl)cc1)OC1=NOC2(CCNCC2)C1
InChIInChI=1S/C15H18ClN3O3/c16-12-3-1-11(2-4-12)10-18-14(20)21-13-9-15(22-19-13)5-7-17-8-6-15/h1-4,17H,5-10H2,(H,18,20)
InChIKeyAQWQCTYVMVVSON-UHFFFAOYSA-N
XLogP2.42
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate?
The IUPAC name of 1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate (CID 67041483) is 1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate.
What is the SMILES notation for 1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate?
The canonical SMILES for 1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate is O=C(NCc1ccc(Cl)cc1)OC1=NOC2(CCNCC2)C1.
What is the InChIKey of 1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate?
The InChIKey is AQWQCTYVMVVSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c16-12-3-1-11(2-4-12)10-18-14(20)21-13-9-15(22-19-13)5-7-17-8-6-15/h1-4,17H,5-10H2,(H,18,20).
What are the key properties of 1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate?
1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate has a molecular weight of 323.78 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate is sourced from PubChem (CID 67041483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).