ethyl 4-[[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoate

C26H32N2O5 — CID 86707334

IUPACethyl 4-[[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoate
SMILESCCOC(=O)c1cc(C)c(NC(=O)c2cc(N3CCC4(CC3)OCCO4)ccc2C)c(C)c1
InChIInChI=1S/C26H32N2O5/c1-5-31-25(30)20-14-18(3)23(19(4)15-20)27-24(29)22-16-21(7-6-17(22)2)28-10-8-26(9-11-28)32-12-13-33-26/h6-7,14-16H,5,8-13H2,1-4H3,(H,27,29)
InChIKeyGNUOKOOACFQJOP-UHFFFAOYSA-N
MW452.55 g/mol
LogP4.38
Rot. Bonds5

About ethyl 4-[[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoate

ethyl 4-[[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoate (PubChem CID 86707334) has the molecular formula C26H32N2O5 and a molecular weight of 452.55 g/mol. Its IUPAC name is ethyl 4-[[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoate.

Molecular Properties

Compound Nameethyl 4-[[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoate
PubChem CID86707334
Molecular FormulaC26H32N2O5
Molecular Weight452.55 g/mol
Exact Mass452.23
IUPAC Nameethyl 4-[[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoate
SMILESCCOC(=O)c1cc(C)c(NC(=O)c2cc(N3CCC4(CC3)OCCO4)ccc2C)c(C)c1
InChIInChI=1S/C26H32N2O5/c1-5-31-25(30)20-14-18(3)23(19(4)15-20)27-24(29)22-16-21(7-6-17(22)2)28-10-8-26(9-11-28)32-12-13-33-26/h6-7,14-16H,5,8-13H2,1-4H3,(H,27,29)
InChIKeyGNUOKOOACFQJOP-UHFFFAOYSA-N
XLogP4.38
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoate with MolForge

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Related Compounds

N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-methylbenzamide
CID 112984204
hexyl 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)benzoate
CID 22973680
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]propanamide
CID 112984191
ethyl 2-chloro-5-(1-oxa-6-azaspiro[2.5]octan-6-yl)benzoate
CID 118904901
N-(3,4-dimethylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109215686
ethyl 2-amino-5-(4,4-dimethylpiperidin-1-yl)benzoate
CID 62932234
ethyl 6-amino-5-cyano-4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-methyl-4H-pyran-3-carboxylate
CID 169390614
ethyl (2S)-2-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]sulfonylamino]-3-methylbutanoate
CID 22969331
4-tert-butyl-N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]benzamide
CID 112984216
ethyl 4-(1,5-dioxa-9-azaspiro[5.5]undecane-9-carbonylamino)benzoate
CID 3364721
N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-4-carboxamide
CID 109174043
ethyl 3,5-dimethyl-4-[(3-phenylnaphthalene-1-carbonyl)amino]benzoate
CID 122506998

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoate?
The IUPAC name of ethyl 4-[[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoate (CID 86707334) is ethyl 4-[[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoate.
What is the SMILES notation for ethyl 4-[[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoate?
The canonical SMILES for ethyl 4-[[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoate is CCOC(=O)c1cc(C)c(NC(=O)c2cc(N3CCC4(CC3)OCCO4)ccc2C)c(C)c1.
What is the InChIKey of ethyl 4-[[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoate?
The InChIKey is GNUOKOOACFQJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O5/c1-5-31-25(30)20-14-18(3)23(19(4)15-20)27-24(29)22-16-21(7-6-17(22)2)28-10-8-26(9-11-28)32-12-13-33-26/h6-7,14-16H,5,8-13H2,1-4H3,(H,27,29).
What are the key properties of ethyl 4-[[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoate?
ethyl 4-[[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoate has a molecular weight of 452.55 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylbenzoyl]amino]-3,5-dimethylbenzoate is sourced from PubChem (CID 86707334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).