N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

C16H21N3O2 — CID 91267505

IUPACN-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1=CC2(CCNCC2)ON1
InChIInChI=1S/C16H21N3O2/c20-15(18-9-6-13-4-2-1-3-5-13)14-12-16(21-19-14)7-10-17-11-8-16/h1-5,12,17,19H,6-11H2,(H,18,20)
InChIKeyNSMVAPJWAMGFME-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.89
Rot. Bonds4

About N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (PubChem CID 91267505) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
PubChem CID91267505
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1=CC2(CCNCC2)ON1
InChIInChI=1S/C16H21N3O2/c20-15(18-9-6-13-4-2-1-3-5-13)14-12-16(21-19-14)7-10-17-11-8-16/h1-5,12,17,19H,6-11H2,(H,18,20)
InChIKeyNSMVAPJWAMGFME-UHFFFAOYSA-N
XLogP0.89
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-phenyl-1-(1-piperidinylcarbonyl)vinyl]acetamide
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8-(4-fluorobenzoyl)-N-(2-methylpropyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
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N-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 90911012
Tert-butyl 3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 91189665
Tert-butyl [3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] carbonate
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N-[(2,4-difluorophenyl)methyl]-8-(dimethylsulfamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91488859
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(2Z)-2-Acetamido-3-phenyl-N-(2-phenylethyl)prop-2-enamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The IUPAC name of N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (CID 91267505) is N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is O=C(NCCc1ccccc1)C1=CC2(CCNCC2)ON1.
What is the InChIKey of N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The InChIKey is NSMVAPJWAMGFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-15(18-9-6-13-4-2-1-3-5-13)14-12-16(21-19-14)7-10-17-11-8-16/h1-5,12,17,19H,6-11H2,(H,18,20).
What are the key properties of N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is sourced from PubChem (CID 91267505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).