carbon dioxide;2-[3-methoxy-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide

C25H26N2O6 — CID 159982127

IUPACcarbon dioxide;2-[3-methoxy-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)Cc2ccc(Oc3ccc(C)cn3)c(OC)c2)c1.O=C=O
InChIInChI=1S/C24H26N2O4.CO2/c1-17-7-10-24(26-16-17)30-21-9-8-19(14-22(21)29-3)15-23(27)25-12-11-18-5-4-6-20(13-18)28-2;2-1-3/h4-10,13-14,16H,11-12,15H2,1-3H3,(H,25,27);
InChIKeyOFXDLMJTKHDKNC-UHFFFAOYSA-N
MW450.49 g/mol
LogP3.52
Rot. Bonds9

About carbon dioxide;2-[3-methoxy-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide

carbon dioxide;2-[3-methoxy-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 159982127) has the molecular formula C25H26N2O6 and a molecular weight of 450.49 g/mol. Its IUPAC name is carbon dioxide;2-[3-methoxy-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Namecarbon dioxide;2-[3-methoxy-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
PubChem CID159982127
Molecular FormulaC25H26N2O6
Molecular Weight450.49 g/mol
Exact Mass450.18
IUPAC Namecarbon dioxide;2-[3-methoxy-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)Cc2ccc(Oc3ccc(C)cn3)c(OC)c2)c1.O=C=O
InChIInChI=1S/C24H26N2O4.CO2/c1-17-7-10-24(26-16-17)30-21-9-8-19(14-22(21)29-3)15-23(27)25-12-11-18-5-4-6-20(13-18)28-2;2-1-3/h4-10,13-14,16H,11-12,15H2,1-3H3,(H,25,27);
InChIKeyOFXDLMJTKHDKNC-UHFFFAOYSA-N
XLogP3.52
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[[5-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-pyridinyl]oxy]-3-methoxyphenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 139479360
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985428
2-(3-aminophenyl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 28711957
2-(2,5-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977879
N-[2-(4-hydroxyphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 61017914
2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 10496902
N-[2-(3-methoxyphenyl)ethyl]-2-(3-phenylmethoxyphenyl)acetamide
CID 13406973
2-(3,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533354
2-[3,5-bis(phenylmethoxy)phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 564164
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 108891449
2-(2-methoxy-5-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260370
N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112994021

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;2-[3-methoxy-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of carbon dioxide;2-[3-methoxy-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide (CID 159982127) is carbon dioxide;2-[3-methoxy-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for carbon dioxide;2-[3-methoxy-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for carbon dioxide;2-[3-methoxy-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide is COc1cccc(CCNC(=O)Cc2ccc(Oc3ccc(C)cn3)c(OC)c2)c1.O=C=O.
What is the InChIKey of carbon dioxide;2-[3-methoxy-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is OFXDLMJTKHDKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4.CO2/c1-17-7-10-24(26-16-17)30-21-9-8-19(14-22(21)29-3)15-23(27)25-12-11-18-5-4-6-20(13-18)28-2;2-1-3/h4-10,13-14,16H,11-12,15H2,1-3H3,(H,25,27);.
What are the key properties of carbon dioxide;2-[3-methoxy-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
carbon dioxide;2-[3-methoxy-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 450.49 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;2-[3-methoxy-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 159982127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).