N-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide

C23H25Cl2N3O3 — CID 15942087

IUPACN-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCc1ccc(CN2CC3(CCN(C(=O)NCc4ccc(Cl)c(Cl)c4)CC3)OC2=O)cc1
InChIInChI=1S/C23H25Cl2N3O3/c1-16-2-4-17(5-3-16)14-28-15-23(31-22(28)30)8-10-27(11-9-23)21(29)26-13-18-6-7-19(24)20(25)12-18/h2-7,12H,8-11,13-15H2,1H3,(H,26,29)
InChIKeyAKBAMRAGHUUTLU-UHFFFAOYSA-N
MW462.38 g/mol
LogP5.00
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide

N-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 15942087) has the molecular formula C23H25Cl2N3O3 and a molecular weight of 462.38 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID15942087
Molecular FormulaC23H25Cl2N3O3
Molecular Weight462.38 g/mol
Exact Mass461.13
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCc1ccc(CN2CC3(CCN(C(=O)NCc4ccc(Cl)c(Cl)c4)CC3)OC2=O)cc1
InChIInChI=1S/C23H25Cl2N3O3/c1-16-2-4-17(5-3-16)14-28-15-23(31-22(28)30)8-10-27(11-9-23)21(29)26-13-18-6-7-19(24)20(25)12-18/h2-7,12H,8-11,13-15H2,1H3,(H,26,29)
InChIKeyAKBAMRAGHUUTLU-UHFFFAOYSA-N
XLogP5.00
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.38
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide (CID 15942087) is N-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide is Cc1ccc(CN2CC3(CCN(C(=O)NCc4ccc(Cl)c(Cl)c4)CC3)OC2=O)cc1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is AKBAMRAGHUUTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O3/c1-16-2-4-17(5-3-16)14-28-15-23(31-22(28)30)8-10-27(11-9-23)21(29)26-13-18-6-7-19(24)20(25)12-18/h2-7,12H,8-11,13-15H2,1H3,(H,26,29).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 462.38 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-3-[(4-methylphenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 15942087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).