10-benzyl-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one

C19H28N2O2 — CID 131679011

IUPAC10-benzyl-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
SMILESCC(C)CN1CC2(COCCN(Cc3ccccc3)C2)CC1=O
InChIInChI=1S/C19H28N2O2/c1-16(2)11-21-14-19(10-18(21)22)13-20(8-9-23-15-19)12-17-6-4-3-5-7-17/h3-7,16H,8-15H2,1-2H3
InChIKeyQXFFOKDAXCMJAO-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.39
Rot. Bonds4

About 10-benzyl-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one

10-benzyl-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one (PubChem CID 131679011) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 10-benzyl-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one.

Molecular Properties

Compound Name10-benzyl-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
PubChem CID131679011
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name10-benzyl-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
SMILESCC(C)CN1CC2(COCCN(Cc3ccccc3)C2)CC1=O
InChIInChI=1S/C19H28N2O2/c1-16(2)11-21-14-19(10-18(21)22)13-20(8-9-23-15-19)12-17-6-4-3-5-7-17/h3-7,16H,8-15H2,1-2H3
InChIKeyQXFFOKDAXCMJAO-UHFFFAOYSA-N
XLogP2.39
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Pyrrolidinone, 5-methoxy-1-(phenylmethyl)-, (+-)-
CID 3077957
2-Pyrrolidinone, 1-(phenylmethyl)-5-propoxy-, (+-)-
CID 3077959
2-Pyrrolidinone, 5-(1-methylethoxy)-1-(phenylmethyl)-, (+-)-
CID 3077960
1-Benzyl-5-butoxypyrrolidin-2-one
CID 3077961
1-Benzyl-5-(pentyloxy)pyrrolidin-2-one
CID 3077962
2-Pyrrolidinone, 5-(hexyloxy)-1-(phenylmethyl)-, (+-)-
CID 3077963
2-Pyrrolidinone, 5-(heptyloxy)-1-(phenylmethyl)-, (+-)-
CID 3077964
1-Benzyl-5-ethoxypyrrolidin-2-one
CID 3065698
Methyl 4-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-4-oxobutanoate
CID 97392751
1-[(5aR,8aS)-7-[(2-fluorophenyl)methyl]-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-4-yl]ethanone
CID 97420286
1-[(4R,5S)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-phenylethanone
CID 97472389
1-[(4S,5R)-2-(2-methoxyethyl)-4-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-phenylethanone
CID 97472407

Frequently Asked Questions

What is the IUPAC name of 10-benzyl-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
The IUPAC name of 10-benzyl-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one (CID 131679011) is 10-benzyl-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one.
What is the SMILES notation for 10-benzyl-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
The canonical SMILES for 10-benzyl-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one is CC(C)CN1CC2(COCCN(Cc3ccccc3)C2)CC1=O.
What is the InChIKey of 10-benzyl-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
The InChIKey is QXFFOKDAXCMJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-16(2)11-21-14-19(10-18(21)22)13-20(8-9-23-15-19)12-17-6-4-3-5-7-17/h3-7,16H,8-15H2,1-2H3.
What are the key properties of 10-benzyl-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one?
10-benzyl-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one has a molecular weight of 316.44 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one is sourced from PubChem (CID 131679011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).