[2-oxo-3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] N-(2,5-dichlorophenyl)carbamate

C27H25Cl2N3O4 — CID 68977591

IUPAC[2-oxo-3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] N-(2,5-dichlorophenyl)carbamate
SMILESO=C(Nc1cc(Cl)ccc1Cl)ON1CCC2(CC1)CN(Cc1ccccc1-c1ccccc1)C(=O)O2
InChIInChI=1S/C27H25Cl2N3O4/c28-21-10-11-23(29)24(16-21)30-25(33)36-32-14-12-27(13-15-32)18-31(26(34)35-27)17-20-8-4-5-9-22(20)19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2,(H,30,33)
InChIKeyAAJLCNVFWHNHQF-UHFFFAOYSA-N
MW526.42 g/mol
LogP6.61
Rot. Bonds5

About [2-oxo-3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] N-(2,5-dichlorophenyl)carbamate

[2-oxo-3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] N-(2,5-dichlorophenyl)carbamate (PubChem CID 68977591) has the molecular formula C27H25Cl2N3O4 and a molecular weight of 526.42 g/mol. Its IUPAC name is [2-oxo-3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] N-(2,5-dichlorophenyl)carbamate.

Molecular Properties

Compound Name[2-oxo-3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] N-(2,5-dichlorophenyl)carbamate
PubChem CID68977591
Molecular FormulaC27H25Cl2N3O4
Molecular Weight526.42 g/mol
Exact Mass525.12
IUPAC Name[2-oxo-3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] N-(2,5-dichlorophenyl)carbamate
SMILESO=C(Nc1cc(Cl)ccc1Cl)ON1CCC2(CC1)CN(Cc1ccccc1-c1ccccc1)C(=O)O2
InChIInChI=1S/C27H25Cl2N3O4/c28-21-10-11-23(29)24(16-21)30-25(33)36-32-14-12-27(13-15-32)18-31(26(34)35-27)17-20-8-4-5-9-22(20)19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2,(H,30,33)
InChIKeyAAJLCNVFWHNHQF-UHFFFAOYSA-N
XLogP6.61
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.42
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(naphthalen-2-ylmethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] N-[(3,4-dichlorophenyl)methyl]carbamate
CID 68978006
3-[[4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 24985420
(5R)-3-[(4-fluorophenyl)methyl]-7-(2-phenylbenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 129459136
3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 72859179
8-[2-(3-chlorophenoxy)acetyl]-3-[(3,4-difluorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66901759
8-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-3-[(3,5-dimethylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66901837
2,5-dichloro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzamide
CID 47020894
(5R)-3-(4-chlorophenyl)-7-(2-phenylbenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125025104
3-[(2-fluorophenyl)methyl]-8-(3-methoxybenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66901933
4-[(2-chlorophenyl)methyl]-N-(2,5-dichlorophenyl)piperazine-1-carboxamide
CID 113107765
[1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 10645832
(1-aminocyclopentyl)methyl N-(2,5-dichlorophenyl)carbamate
CID 79337235

Frequently Asked Questions

What is the IUPAC name of [2-oxo-3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] N-(2,5-dichlorophenyl)carbamate?
The IUPAC name of [2-oxo-3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] N-(2,5-dichlorophenyl)carbamate (CID 68977591) is [2-oxo-3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] N-(2,5-dichlorophenyl)carbamate.
What is the SMILES notation for [2-oxo-3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] N-(2,5-dichlorophenyl)carbamate?
The canonical SMILES for [2-oxo-3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] N-(2,5-dichlorophenyl)carbamate is O=C(Nc1cc(Cl)ccc1Cl)ON1CCC2(CC1)CN(Cc1ccccc1-c1ccccc1)C(=O)O2.
What is the InChIKey of [2-oxo-3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] N-(2,5-dichlorophenyl)carbamate?
The InChIKey is AAJLCNVFWHNHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2N3O4/c28-21-10-11-23(29)24(16-21)30-25(33)36-32-14-12-27(13-15-32)18-31(26(34)35-27)17-20-8-4-5-9-22(20)19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2,(H,30,33).
What are the key properties of [2-oxo-3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] N-(2,5-dichlorophenyl)carbamate?
[2-oxo-3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] N-(2,5-dichlorophenyl)carbamate has a molecular weight of 526.42 g/mol, XLogP of 6.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-3-[(2-phenylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-8-yl] N-(2,5-dichlorophenyl)carbamate is sourced from PubChem (CID 68977591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).