N-(1-adamantyl)-8-(2,5-dimethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide

C28H39N3O4 — CID 3867914

IUPACN-(1-adamantyl)-8-(2,5-dimethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
SMILESCOc1ccc(OC)c(C(=O)N2CCC3(CCN(C(=O)NC45CC6CC(CC(C6)C4)C5)C3)CC2)c1
InChIInChI=1S/C28H39N3O4/c1-34-22-3-4-24(35-2)23(14-22)25(32)30-8-5-27(6-9-30)7-10-31(18-27)26(33)29-28-15-19-11-20(16-28)13-21(12-19)17-28/h3-4,14,19-21H,5-13,15-18H2,1-2H3,(H,29,33)
InChIKeyFLVRVMOSCDHWDA-UHFFFAOYSA-N
MW481.64 g/mol
LogP4.31
Rot. Bonds4

About N-(1-adamantyl)-8-(2,5-dimethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide

N-(1-adamantyl)-8-(2,5-dimethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 3867914) has the molecular formula C28H39N3O4 and a molecular weight of 481.64 g/mol. Its IUPAC name is N-(1-adamantyl)-8-(2,5-dimethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-8-(2,5-dimethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
PubChem CID3867914
Molecular FormulaC28H39N3O4
Molecular Weight481.64 g/mol
Exact Mass481.29
IUPAC NameN-(1-adamantyl)-8-(2,5-dimethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
SMILESCOc1ccc(OC)c(C(=O)N2CCC3(CCN(C(=O)NC45CC6CC(CC(C6)C4)C5)C3)CC2)c1
InChIInChI=1S/C28H39N3O4/c1-34-22-3-4-24(35-2)23(14-22)25(32)30-8-5-27(6-9-30)7-10-31(18-27)26(33)29-28-15-19-11-20(16-28)13-21(12-19)17-28/h3-4,14,19-21H,5-13,15-18H2,1-2H3,(H,29,33)
InChIKeyFLVRVMOSCDHWDA-UHFFFAOYSA-N
XLogP4.31
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.64
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2,5-dimethoxybenzoyl)-N-(3,5-dimethoxyphenyl)-2,8-diazaspiro[4.5]decane-2-carbothioamide
CID 3548836
(2,5-dimethoxyphenyl)-[2-(5-methyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 3852997
(2,5-dimethoxyphenyl)-[2-(4-methoxy-5-nitrothiophene-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 3721809
(2,5-dimethoxyphenyl)-[2-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 74227669
methyl 2-[8-(2,5-dimethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-6-nitrobenzoate
CID 3672768
1-[8-(2,5-dimethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(2,4-dimethoxypyrimidin-5-yl)prop-2-en-1-one
CID 3849379
1-[8-(2,5-dimethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one
CID 3359814
(2-methoxy-5-methylphenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 112534319
(2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119401629
ethyl N-[(2S)-1-[8-(2,5-dimethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 74227220
N-(1-adamantyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17374929
(3-aminoazetidin-1-yl)-(2,5-dimethoxyphenyl)methanone
CID 63755995

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-8-(2,5-dimethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-(1-adamantyl)-8-(2,5-dimethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide (CID 3867914) is N-(1-adamantyl)-8-(2,5-dimethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-8-(2,5-dimethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-(1-adamantyl)-8-(2,5-dimethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide is COc1ccc(OC)c(C(=O)N2CCC3(CCN(C(=O)NC45CC6CC(CC(C6)C4)C5)C3)CC2)c1.
What is the InChIKey of N-(1-adamantyl)-8-(2,5-dimethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is FLVRVMOSCDHWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O4/c1-34-22-3-4-24(35-2)23(14-22)25(32)30-8-5-27(6-9-30)7-10-31(18-27)26(33)29-28-15-19-11-20(16-28)13-21(12-19)17-28/h3-4,14,19-21H,5-13,15-18H2,1-2H3,(H,29,33).
What are the key properties of N-(1-adamantyl)-8-(2,5-dimethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide?
N-(1-adamantyl)-8-(2,5-dimethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 481.64 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-8-(2,5-dimethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 3867914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).