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

C30H38N4O5 — CID 4531404

IUPACN-cyclohexyl-2-[8-(2,4-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
SMILESCOc1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)NC2CCCCC2)CN3c2ccccc2)c(OC)c1
InChIInChI=1S/C30H38N4O5/c1-38-24-13-14-25(26(19-24)39-2)28(36)32-17-15-30(16-18-32)29(37)33(21-34(30)23-11-7-4-8-12-23)20-27(35)31-22-9-5-3-6-10-22/h4,7-8,11-14,19,22H,3,5-6,9-10,15-18,20-21H2,1-2H3,(H,31,35)
InChIKeyYSLIAROMFAXHFW-UHFFFAOYSA-N
MW534.66 g/mol
LogP3.43
Rot. Bonds7

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

N-cyclohexyl-2-[8-(2,4-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 4531404) has the molecular formula C30H38N4O5 and a molecular weight of 534.66 g/mol. Its IUPAC name is N-cyclohexyl-2-[8-(2,4-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[8-(2,4-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
PubChem CID4531404
Molecular FormulaC30H38N4O5
Molecular Weight534.66 g/mol
Exact Mass534.28
IUPAC NameN-cyclohexyl-2-[8-(2,4-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
SMILESCOc1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)NC2CCCCC2)CN3c2ccccc2)c(OC)c1
InChIInChI=1S/C30H38N4O5/c1-38-24-13-14-25(26(19-24)39-2)28(36)32-17-15-30(16-18-32)29(37)33(21-34(30)23-11-7-4-8-12-23)20-27(35)31-22-9-5-3-6-10-22/h4,7-8,11-14,19,22H,3,5-6,9-10,15-18,20-21H2,1-2H3,(H,31,35)
InChIKeyYSLIAROMFAXHFW-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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Related Compounds

S1PR2 Antagonist 43
CID 166519371
4-(2-ethylbutyl)-N-[3-[4-(ethylcarbamoyl)phenoxy]-5-(4-fluorophenoxy)phenyl]piperazine-1-carboxamide
CID 166519343
Triazaspirobenzyl, 4
CID 71463360
N-[2-(ethylamino)-2-oxoethyl]-2,4-dihydroxy-N-(4-methoxyphenyl)benzamide
CID 124201642
N-[2-(2,4-dichlorophenyl)ethyl]-2-{8-[(2,4-dimethoxyphenyl)carbonyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl}acetamide
CID 4620128
N-(cyclohexylmethyl)-2-[8-(2,4-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 3284660
N-cyclohexyl-2-[8-(2,6-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 3403259
N-(cyclohexylmethyl)-2-[8-(4-methoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 3517606
4-(2,4-dimethoxybenzoyl)-7-methyl-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
CID 4074724
1-(2,4-dimethoxybenzoyl)-N-(4-methoxyphenyl)-3-piperidinamine
CID 24819242
2-{8-[3-(5-methoxy-2-methyl-phenoxy)-4-methylpentyl]-4-oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-3-yl}-N-methyl-acetamide
CID 44437656
N-phenyl-2-phenylmethoxy-4-(3-pyrrolidin-1-ylpropoxy)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[8-(2,4-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[8-(2,4-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (CID 4531404) is N-cyclohexyl-2-[8-(2,4-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-(2,4-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[8-(2,4-dimethoxybenzoyl)-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)NC2CCCCC2)CN3c2ccccc2)c(OC)c1.
What is the InChIKey of N-cyclohexyl-2-[8-(2,4-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is YSLIAROMFAXHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O5/c1-38-24-13-14-25(26(19-24)39-2)28(36)32-17-15-30(16-18-32)29(37)33(21-34(30)23-11-7-4-8-12-23)20-27(35)31-22-9-5-3-6-10-22/h4,7-8,11-14,19,22H,3,5-6,9-10,15-18,20-21H2,1-2H3,(H,31,35).
What are the key properties of N-cyclohexyl-2-[8-(2,4-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
N-cyclohexyl-2-[8-(2,4-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-(2,4-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 4531404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).