N-[(4-tert-butylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

C19H27N3O2 — CID 91478073

IUPACN-[(4-tert-butylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESCC(C)(C)c1ccc(CNC(=O)C2=CC3(CCNCC3)ON2)cc1
InChIInChI=1S/C19H27N3O2/c1-18(2,3)15-6-4-14(5-7-15)13-21-17(23)16-12-19(24-22-16)8-10-20-11-9-19/h4-7,12,20,22H,8-11,13H2,1-3H3,(H,21,23)
InChIKeyYDVOOFFUWQLLCC-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.14
Rot. Bonds3

About N-[(4-tert-butylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

N-[(4-tert-butylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (PubChem CID 91478073) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
PubChem CID91478073
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[(4-tert-butylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESCC(C)(C)c1ccc(CNC(=O)C2=CC3(CCNCC3)ON2)cc1
InChIInChI=1S/C19H27N3O2/c1-18(2,3)15-6-4-14(5-7-15)13-21-17(23)16-12-19(24-22-16)8-10-20-11-9-19/h4-7,12,20,22H,8-11,13H2,1-3H3,(H,21,23)
InChIKeyYDVOOFFUWQLLCC-UHFFFAOYSA-N
XLogP2.14
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-Hydroxy-6-[(4-Phenylbenzyl)carbamoyl]-2-pyridinone
CID 24857924
N-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 90911012
8-(dimethylsulfamoyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 90931429
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
CID 91203294
3-(4-Tert-butylphenyl)-1-[3-(3-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl]prop-2-en-1-one
CID 91223295
N-[(2,4-difluorophenyl)methyl]-8-(dimethylsulfamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91488859
N-[[4-[(5-benzylidene-3,6-dioxopiperazin-2-ylidene)methyl]phenyl]methyl]acetamide
CID 54271693
N-[[4-[(Z)-[(5Z)-5-benzylidene-3,6-dioxopiperazin-2-ylidene]methyl]phenyl]methyl]acetamide
CID 69757338
Tert-butyl 3-(benzylcarbamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 90739333
2-[(4-Tert-butylphenyl)methylidene]-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)butan-1-one
CID 90748659
[3-(Benzylcarbamoyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] tert-butyl carbonate
CID 90839387

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (CID 91478073) is N-[(4-tert-butylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is CC(C)(C)c1ccc(CNC(=O)C2=CC3(CCNCC3)ON2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The InChIKey is YDVOOFFUWQLLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-18(2,3)15-6-4-14(5-7-15)13-21-17(23)16-12-19(24-22-16)8-10-20-11-9-19/h4-7,12,20,22H,8-11,13H2,1-3H3,(H,21,23).
What are the key properties of N-[(4-tert-butylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
N-[(4-tert-butylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is sourced from PubChem (CID 91478073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).