N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;hydrochloride

C15H20ClN3O2 — CID 67393220

IUPACN-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1)C1=NOC2(CCNCC2)C1
InChIInChI=1S/C15H19N3O2.ClH/c19-14(17-11-12-4-2-1-3-5-12)13-10-15(20-18-13)6-8-16-9-7-15;/h1-5,16H,6-11H2,(H,17,19);1H
InChIKeyUVHZHKKWIIGVIX-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.62
Rot. Bonds3

About N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;hydrochloride

N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;hydrochloride (PubChem CID 67393220) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;hydrochloride
PubChem CID67393220
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1)C1=NOC2(CCNCC2)C1
InChIInChI=1S/C15H19N3O2.ClH/c19-14(17-11-12-4-2-1-3-5-12)13-10-15(20-18-13)6-8-16-9-7-15;/h1-5,16H,6-11H2,(H,17,19);1H
InChIKeyUVHZHKKWIIGVIX-UHFFFAOYSA-N
XLogP1.62
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

azane;N-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 69316462
(5R)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 97490819
(5S)-9-N-benzyl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97490871
methyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate;hydrochloride
CID 75412059
3-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 59830365
1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate;hydrochloride
CID 67041485
1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 86633507
(5S)-N-(cyclopropylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97408003
(5R)-9-N-phenyl-3-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97491056
3-N-[(4-methylphenyl)methyl]-9-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 134079593
N-[(4-chlorophenyl)methyl]-8-(3,4-dichlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 69318265
N-[(4-chlorophenyl)methyl]-8-[(4-fluorophenyl)carbamothioyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 87781131

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;hydrochloride?
The IUPAC name of N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;hydrochloride (CID 67393220) is N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;hydrochloride?
The canonical SMILES for N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;hydrochloride is Cl.O=C(NCc1ccccc1)C1=NOC2(CCNCC2)C1.
What is the InChIKey of N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;hydrochloride?
The InChIKey is UVHZHKKWIIGVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2.ClH/c19-14(17-11-12-4-2-1-3-5-12)13-10-15(20-18-13)6-8-16-9-7-15;/h1-5,16H,6-11H2,(H,17,19);1H.
What are the key properties of N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;hydrochloride?
N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;hydrochloride is sourced from PubChem (CID 67393220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).