N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]acetamide

C20H26N4O5 — CID 53175095

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]acetamide
SMILESCCNC(=O)Nc1ccc(OCC(=O)NC(C)c2ccc(OC)c(OC)c2)nc1
InChIInChI=1S/C20H26N4O5/c1-5-21-20(26)24-15-7-9-19(22-11-15)29-12-18(25)23-13(2)14-6-8-16(27-3)17(10-14)28-4/h6-11,13H,5,12H2,1-4H3,(H,23,25)(H2,21,24,26)
InChIKeyBGIKISSWTGMNRD-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.50
Rot. Bonds9

About N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]acetamide

N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]acetamide (PubChem CID 53175095) has the molecular formula C20H26N4O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]acetamide
PubChem CID53175095
Molecular FormulaC20H26N4O5
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]acetamide
SMILESCCNC(=O)Nc1ccc(OCC(=O)NC(C)c2ccc(OC)c(OC)c2)nc1
InChIInChI=1S/C20H26N4O5/c1-5-21-20(26)24-15-7-9-19(22-11-15)29-12-18(25)23-13(2)14-6-8-16(27-3)17(10-14)28-4/h6-11,13H,5,12H2,1-4H3,(H,23,25)(H2,21,24,26)
InChIKeyBGIKISSWTGMNRD-UHFFFAOYSA-N
XLogP2.50
TPSA110.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]acetamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]acetamide (CID 53175095) is N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]acetamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]acetamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]acetamide is CCNC(=O)Nc1ccc(OCC(=O)NC(C)c2ccc(OC)c(OC)c2)nc1.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]acetamide?
The InChIKey is BGIKISSWTGMNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5/c1-5-21-20(26)24-15-7-9-19(22-11-15)29-12-18(25)23-13(2)14-6-8-16(27-3)17(10-14)28-4/h6-11,13H,5,12H2,1-4H3,(H,23,25)(H2,21,24,26).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]acetamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]acetamide has a molecular weight of 402.45 g/mol, XLogP of 2.50, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]acetamide is sourced from PubChem (CID 53175095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).