N-(cyclohexylmethyl)-2-[8-(4-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

C30H38N4O4 — CID 3517606

IUPACN-(cyclohexylmethyl)-2-[8-(4-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
SMILESCOc1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)NCC2CCCCC2)CN3c2ccccc2)cc1
InChIInChI=1S/C30H38N4O4/c1-38-26-14-12-24(13-15-26)28(36)32-18-16-30(17-19-32)29(37)33(22-34(30)25-10-6-3-7-11-25)21-27(35)31-20-23-8-4-2-5-9-23/h3,6-7,10-15,23H,2,4-5,8-9,16-22H2,1H3,(H,31,35)
InChIKeyRWRNVMNTBPIOAQ-UHFFFAOYSA-N
MW518.66 g/mol
LogP3.67
Rot. Bonds7

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

N-(cyclohexylmethyl)-2-[8-(4-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 3517606) has the molecular formula C30H38N4O4 and a molecular weight of 518.66 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[8-(4-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[8-(4-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
PubChem CID3517606
Molecular FormulaC30H38N4O4
Molecular Weight518.66 g/mol
Exact Mass518.29
IUPAC NameN-(cyclohexylmethyl)-2-[8-(4-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
SMILESCOc1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)NCC2CCCCC2)CN3c2ccccc2)cc1
InChIInChI=1S/C30H38N4O4/c1-38-26-14-12-24(13-15-26)28(36)32-18-16-30(17-19-32)29(37)33(22-34(30)25-10-6-3-7-11-25)21-27(35)31-20-23-8-4-2-5-9-23/h3,6-7,10-15,23H,2,4-5,8-9,16-22H2,1H3,(H,31,35)
InChIKeyRWRNVMNTBPIOAQ-UHFFFAOYSA-N
XLogP3.67
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.66
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[8-(4-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[8-(4-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (CID 3517606) is N-(cyclohexylmethyl)-2-[8-(4-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[8-(4-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[8-(4-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is COc1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)NCC2CCCCC2)CN3c2ccccc2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[8-(4-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is RWRNVMNTBPIOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O4/c1-38-26-14-12-24(13-15-26)28(36)32-18-16-30(17-19-32)29(37)33(22-34(30)25-10-6-3-7-11-25)21-27(35)31-20-23-8-4-2-5-9-23/h3,6-7,10-15,23H,2,4-5,8-9,16-22H2,1H3,(H,31,35).
What are the key properties of N-(cyclohexylmethyl)-2-[8-(4-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
N-(cyclohexylmethyl)-2-[8-(4-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 518.66 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[8-(4-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 3517606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).