N-cyclohexyl-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

C30H38N4O5 — CID 3403259

IUPACN-cyclohexyl-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
SMILESCOc1cccc(OC)c1C(=O)N1CCC2(CC1)C(=O)N(CC(=O)NC1CCCCC1)CN2c1ccccc1
InChIInChI=1S/C30H38N4O5/c1-38-24-14-9-15-25(39-2)27(24)28(36)32-18-16-30(17-19-32)29(37)33(21-34(30)23-12-7-4-8-13-23)20-26(35)31-22-10-5-3-6-11-22/h4,7-9,12-15,22H,3,5-6,10-11,16-21H2,1-2H3,(H,31,35)
InChIKeyJFYYBQZOTFSCHQ-UHFFFAOYSA-N
MW534.66 g/mol
LogP3.43
Rot. Bonds7

About N-cyclohexyl-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

N-cyclohexyl-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 3403259) has the molecular formula C30H38N4O5 and a molecular weight of 534.66 g/mol. Its IUPAC name is N-cyclohexyl-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
PubChem CID3403259
Molecular FormulaC30H38N4O5
Molecular Weight534.66 g/mol
Exact Mass534.28
IUPAC NameN-cyclohexyl-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
SMILESCOc1cccc(OC)c1C(=O)N1CCC2(CC1)C(=O)N(CC(=O)NC1CCCCC1)CN2c1ccccc1
InChIInChI=1S/C30H38N4O5/c1-38-24-14-9-15-25(39-2)27(24)28(36)32-18-16-30(17-19-32)29(37)33(21-34(30)23-12-7-4-8-13-23)20-26(35)31-22-10-5-3-6-11-22/h4,7-9,12-15,22H,3,5-6,10-11,16-21H2,1-2H3,(H,31,35)
InChIKeyJFYYBQZOTFSCHQ-UHFFFAOYSA-N
XLogP3.43
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.66
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (CID 3403259) is N-cyclohexyl-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is COc1cccc(OC)c1C(=O)N1CCC2(CC1)C(=O)N(CC(=O)NC1CCCCC1)CN2c1ccccc1.
What is the InChIKey of N-cyclohexyl-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is JFYYBQZOTFSCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O5/c1-38-24-14-9-15-25(39-2)27(24)28(36)32-18-16-30(17-19-32)29(37)33(21-34(30)23-12-7-4-8-13-23)20-26(35)31-22-10-5-3-6-11-22/h4,7-9,12-15,22H,3,5-6,10-11,16-21H2,1-2H3,(H,31,35).
What are the key properties of N-cyclohexyl-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
N-cyclohexyl-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 534.66 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 3403259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).