2-[2-oxo-8-[6-(phenylmethoxycarbonylamino)hexanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetate

C23H30N3O7- — CID 23435706

IUPAC2-[2-oxo-8-[6-(phenylmethoxycarbonylamino)hexanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetate
SMILESO=C([O-])CN1CC2(CCN(C(=O)CCCCCNC(=O)OCc3ccccc3)CC2)OC1=O
InChIInChI=1S/C23H31N3O7/c27-19(9-5-2-6-12-24-21(30)32-16-18-7-3-1-4-8-18)25-13-10-23(11-14-25)17-26(15-20(28)29)22(31)33-23/h1,3-4,7-8H,2,5-6,9-17H2,(H,24,30)(H,28,29)/p-1
InChIKeyITIZYJNVGVYIFO-UHFFFAOYSA-M
MW460.51 g/mol
LogP1.04
Rot. Bonds10

About 2-[2-oxo-8-[6-(phenylmethoxycarbonylamino)hexanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetate

2-[2-oxo-8-[6-(phenylmethoxycarbonylamino)hexanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetate (PubChem CID 23435706) has the molecular formula C23H30N3O7- and a molecular weight of 460.51 g/mol. Its IUPAC name is 2-[2-oxo-8-[6-(phenylmethoxycarbonylamino)hexanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetate.

Molecular Properties

Compound Name2-[2-oxo-8-[6-(phenylmethoxycarbonylamino)hexanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetate
PubChem CID23435706
Molecular FormulaC23H30N3O7-
Molecular Weight460.51 g/mol
Exact Mass460.21
IUPAC Name2-[2-oxo-8-[6-(phenylmethoxycarbonylamino)hexanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetate
SMILESO=C([O-])CN1CC2(CCN(C(=O)CCCCCNC(=O)OCc3ccccc3)CC2)OC1=O
InChIInChI=1S/C23H31N3O7/c27-19(9-5-2-6-12-24-21(30)32-16-18-7-3-1-4-8-18)25-13-10-23(11-14-25)17-26(15-20(28)29)22(31)33-23/h1,3-4,7-8H,2,5-6,9-17H2,(H,24,30)(H,28,29)/p-1
InChIKeyITIZYJNVGVYIFO-UHFFFAOYSA-M
XLogP1.04
TPSA128.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-oxo-8-[6-(phenylmethoxycarbonylamino)hexanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetate with MolForge

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Related Compounds

sodium 6-(phenylmethoxycarbonylamino)hexanoate
CID 102088654
tritert-butyl 10-[6-(phenylmethoxycarbonylamino)hexanoyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
CID 118541021
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-(6-oxoheptyl)carbamate
CID 58434506
benzyl N-[4-oxo-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]butyl]carbamate
CID 55822163
3-oxo-8-(phenylmethoxycarbonylamino)octanoic acid
CID 22149896
benzyl N-[6-(methylamino)hexyl]carbamate
CID 14423361
benzyl N-(8-oxopentadecyl)carbamate
CID 123440218
benzyl N-[3-(1-aminocyclopropyl)propyl]carbamate
CID 168763212
benzyl N-[4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-oxobutyl]carbamate
CID 55821651
benzyl N-(8-bromooctyl)carbamate
CID 86200547

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-8-[6-(phenylmethoxycarbonylamino)hexanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetate?
The IUPAC name of 2-[2-oxo-8-[6-(phenylmethoxycarbonylamino)hexanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetate (CID 23435706) is 2-[2-oxo-8-[6-(phenylmethoxycarbonylamino)hexanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetate.
What is the SMILES notation for 2-[2-oxo-8-[6-(phenylmethoxycarbonylamino)hexanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetate?
The canonical SMILES for 2-[2-oxo-8-[6-(phenylmethoxycarbonylamino)hexanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetate is O=C([O-])CN1CC2(CCN(C(=O)CCCCCNC(=O)OCc3ccccc3)CC2)OC1=O.
What is the InChIKey of 2-[2-oxo-8-[6-(phenylmethoxycarbonylamino)hexanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetate?
The InChIKey is ITIZYJNVGVYIFO-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H31N3O7/c27-19(9-5-2-6-12-24-21(30)32-16-18-7-3-1-4-8-18)25-13-10-23(11-14-25)17-26(15-20(28)29)22(31)33-23/h1,3-4,7-8H,2,5-6,9-17H2,(H,24,30)(H,28,29)/p-1.
What are the key properties of 2-[2-oxo-8-[6-(phenylmethoxycarbonylamino)hexanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetate?
2-[2-oxo-8-[6-(phenylmethoxycarbonylamino)hexanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetate has a molecular weight of 460.51 g/mol, XLogP of 1.04, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-8-[6-(phenylmethoxycarbonylamino)hexanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetate is sourced from PubChem (CID 23435706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).