N-cyclohexyl-2-[3-[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]acetyl]-3,9-diazaspiro[5.5]undecan-9-yl]acetamide

C30H43N5O5 — CID 172604127

IUPACN-cyclohexyl-2-[3-[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]acetyl]-3,9-diazaspiro[5.5]undecan-9-yl]acetamide
SMILESCc1ccc(OCC(=O)N2CCC3(CCN(CC(=O)NC4CCCCC4)CC3)CC2)cc1N1CCC(=O)NC1=O
InChIInChI=1S/C30H43N5O5/c1-22-7-8-24(19-25(22)35-14-9-26(36)32-29(35)39)40-21-28(38)34-17-12-30(13-18-34)10-15-33(16-11-30)20-27(37)31-23-5-3-2-4-6-23/h7-8,19,23H,2-6,9-18,20-21H2,1H3,(H,31,37)(H,32,36,39)
InChIKeyRIVLQWUNSGOPSA-UHFFFAOYSA-N
MW553.70 g/mol
LogP2.97
Rot. Bonds7

About N-cyclohexyl-2-[3-[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]acetyl]-3,9-diazaspiro[5.5]undecan-9-yl]acetamide

N-cyclohexyl-2-[3-[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]acetyl]-3,9-diazaspiro[5.5]undecan-9-yl]acetamide (PubChem CID 172604127) has the molecular formula C30H43N5O5 and a molecular weight of 553.70 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]acetyl]-3,9-diazaspiro[5.5]undecan-9-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]acetyl]-3,9-diazaspiro[5.5]undecan-9-yl]acetamide
PubChem CID172604127
Molecular FormulaC30H43N5O5
Molecular Weight553.70 g/mol
Exact Mass553.33
IUPAC NameN-cyclohexyl-2-[3-[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]acetyl]-3,9-diazaspiro[5.5]undecan-9-yl]acetamide
SMILESCc1ccc(OCC(=O)N2CCC3(CCN(CC(=O)NC4CCCCC4)CC3)CC2)cc1N1CCC(=O)NC1=O
InChIInChI=1S/C30H43N5O5/c1-22-7-8-24(19-25(22)35-14-9-26(36)32-29(35)39)40-21-28(38)34-17-12-30(13-18-34)10-15-33(16-11-30)20-27(37)31-23-5-3-2-4-6-23/h7-8,19,23H,2-6,9-18,20-21H2,1H3,(H,31,37)(H,32,36,39)
InChIKeyRIVLQWUNSGOPSA-UHFFFAOYSA-N
XLogP2.97
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.70
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-2-[3-[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]acetyl]-3,9-diazaspiro[5.5]undecan-9-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]-N-[1-[[1-(2-oxopropyl)piperidin-4-yl]methyl]piperidin-4-yl]acetamide
CID 172604979
1-[5-[2-[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethoxy]-2-methylphenyl]-1,3-diazinane-2,4-dione
CID 172604117
2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]-N-[1-[[1-(2-oxoethyl)piperidin-4-yl]methyl]piperidin-4-yl]acetamide
CID 172604306
ethyl 4-[4-[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]acetyl]piperazin-1-yl]cyclohexane-1-carboxylate
CID 172604083
1-[2-chloro-5-[2-[4-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-oxoethoxy]phenyl]-1,3-diazinane-2,4-dione
CID 174198515
N-cyclopropyl-2-[4-[3-(3,4-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide
CID 47022937
4-[(1S)-1-aminoethyl]-5-[5-(2-amino-1-phenylethyl)-2-chlorophenyl]-6-fluorocyclohex-2-en-1-ol;N-cyclohexyl-2-[4-[1-[2-[4-methyl-3-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]acetyl]piperidin-4-yl]oxypiperidin-1-yl]acetamide;2-methoxypropane
CID 172604612
2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 31426677
4-[[1-[2-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]piperidin-4-yl]methyl]piperazine-1-carboxylic acid
CID 175325032
2-cyano-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108548368
2-(4-chlorophenoxy)-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108554325
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552999

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]acetyl]-3,9-diazaspiro[5.5]undecan-9-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[3-[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]acetyl]-3,9-diazaspiro[5.5]undecan-9-yl]acetamide (CID 172604127) is N-cyclohexyl-2-[3-[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]acetyl]-3,9-diazaspiro[5.5]undecan-9-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]acetyl]-3,9-diazaspiro[5.5]undecan-9-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[3-[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]acetyl]-3,9-diazaspiro[5.5]undecan-9-yl]acetamide is Cc1ccc(OCC(=O)N2CCC3(CCN(CC(=O)NC4CCCCC4)CC3)CC2)cc1N1CCC(=O)NC1=O.
What is the InChIKey of N-cyclohexyl-2-[3-[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]acetyl]-3,9-diazaspiro[5.5]undecan-9-yl]acetamide?
The InChIKey is RIVLQWUNSGOPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N5O5/c1-22-7-8-24(19-25(22)35-14-9-26(36)32-29(35)39)40-21-28(38)34-17-12-30(13-18-34)10-15-33(16-11-30)20-27(37)31-23-5-3-2-4-6-23/h7-8,19,23H,2-6,9-18,20-21H2,1H3,(H,31,37)(H,32,36,39).
What are the key properties of N-cyclohexyl-2-[3-[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]acetyl]-3,9-diazaspiro[5.5]undecan-9-yl]acetamide?
N-cyclohexyl-2-[3-[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]acetyl]-3,9-diazaspiro[5.5]undecan-9-yl]acetamide has a molecular weight of 553.70 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]acetyl]-3,9-diazaspiro[5.5]undecan-9-yl]acetamide is sourced from PubChem (CID 172604127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).