1-(3,4-dichlorophenyl)-N-[6-[2-(3,4,5-trimethoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]cyclopropane-1-carboxamide

C28H32Cl2N2O5 — CID 171681695

IUPAC1-(3,4-dichlorophenyl)-N-[6-[2-(3,4,5-trimethoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]cyclopropane-1-carboxamide
SMILESCOc1cc(CC(=O)N2CCC3(CC2)CC3NC(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)cc(OC)c1OC
InChIInChI=1S/C28H32Cl2N2O5/c1-35-21-12-17(13-22(36-2)25(21)37-3)14-24(33)32-10-8-27(9-11-32)16-23(27)31-26(34)28(6-7-28)18-4-5-19(29)20(30)15-18/h4-5,12-13,15,23H,6-11,14,16H2,1-3H3,(H,31,34)
InChIKeyGETWGLJZXAPNAU-UHFFFAOYSA-N
MW547.48 g/mol
LogP4.79
Rot. Bonds8

About 1-(3,4-dichlorophenyl)-N-[6-[2-(3,4,5-trimethoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]cyclopropane-1-carboxamide

1-(3,4-dichlorophenyl)-N-[6-[2-(3,4,5-trimethoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]cyclopropane-1-carboxamide (PubChem CID 171681695) has the molecular formula C28H32Cl2N2O5 and a molecular weight of 547.48 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[6-[2-(3,4,5-trimethoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[6-[2-(3,4,5-trimethoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]cyclopropane-1-carboxamide
PubChem CID171681695
Molecular FormulaC28H32Cl2N2O5
Molecular Weight547.48 g/mol
Exact Mass546.17
IUPAC Name1-(3,4-dichlorophenyl)-N-[6-[2-(3,4,5-trimethoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]cyclopropane-1-carboxamide
SMILESCOc1cc(CC(=O)N2CCC3(CC2)CC3NC(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)cc(OC)c1OC
InChIInChI=1S/C28H32Cl2N2O5/c1-35-21-12-17(13-22(36-2)25(21)37-3)14-24(33)32-10-8-27(9-11-32)16-23(27)31-26(34)28(6-7-28)18-4-5-19(29)20(30)15-18/h4-5,12-13,15,23H,6-11,14,16H2,1-3H3,(H,31,34)
InChIKeyGETWGLJZXAPNAU-UHFFFAOYSA-N
XLogP4.79
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.48
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dichlorophenyl)-N-[6-[2-(3,4,5-trimethoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

6-[2-(3,4,5-trimethoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175386
N-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-naphthalen-2-ylpiperidine-4-carboxamide
CID 67561311
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 8839838
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 8779416
1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 27841620
methyl 2-(4-chlorophenyl)-2-[4-[2-(3,4,5-trimethoxyphenyl)acetyl]piperazin-1-yl]acetate
CID 42885945
1-[2-(3,4-dichlorophenyl)acetyl]-4-methylpiperidine-4-carboxylic acid
CID 63123688
1-(4-methyl-1,4-diazepan-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone
CID 78769321
N-[6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
CID 169413685
2-(3,4-dichlorophenyl)-1-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]ethanone
CID 133128631
2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]-1-ethyl-4-phenylpiperidine-4-carboxylic acid
CID 67559394
1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-chloro-4-methoxyphenyl)ethanone
CID 91925027

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[6-[2-(3,4,5-trimethoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[6-[2-(3,4,5-trimethoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]cyclopropane-1-carboxamide (CID 171681695) is 1-(3,4-dichlorophenyl)-N-[6-[2-(3,4,5-trimethoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[6-[2-(3,4,5-trimethoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[6-[2-(3,4,5-trimethoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]cyclopropane-1-carboxamide is COc1cc(CC(=O)N2CCC3(CC2)CC3NC(=O)C2(c3ccc(Cl)c(Cl)c3)CC2)cc(OC)c1OC.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[6-[2-(3,4,5-trimethoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]cyclopropane-1-carboxamide?
The InChIKey is GETWGLJZXAPNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32Cl2N2O5/c1-35-21-12-17(13-22(36-2)25(21)37-3)14-24(33)32-10-8-27(9-11-32)16-23(27)31-26(34)28(6-7-28)18-4-5-19(29)20(30)15-18/h4-5,12-13,15,23H,6-11,14,16H2,1-3H3,(H,31,34).
What are the key properties of 1-(3,4-dichlorophenyl)-N-[6-[2-(3,4,5-trimethoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]cyclopropane-1-carboxamide?
1-(3,4-dichlorophenyl)-N-[6-[2-(3,4,5-trimethoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]cyclopropane-1-carboxamide has a molecular weight of 547.48 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[6-[2-(3,4,5-trimethoxyphenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 171681695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).