N-[2-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]ethyl]pyrazine-2-carboxamide

C19H24N4O4 — CID 108542841

IUPACN-[2-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]ethyl]pyrazine-2-carboxamide
SMILESCCOc1ccc(CCC(=O)NCCNC(=O)c2cnccn2)cc1OC
InChIInChI=1S/C19H24N4O4/c1-3-27-16-6-4-14(12-17(16)26-2)5-7-18(24)22-10-11-23-19(25)15-13-20-8-9-21-15/h4,6,8-9,12-13H,3,5,7,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyIDMAPRFHGWMMKZ-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.36
Rot. Bonds10

About N-[2-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]ethyl]pyrazine-2-carboxamide

N-[2-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]ethyl]pyrazine-2-carboxamide (PubChem CID 108542841) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[2-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]ethyl]pyrazine-2-carboxamide
PubChem CID108542841
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC NameN-[2-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]ethyl]pyrazine-2-carboxamide
SMILESCCOc1ccc(CCC(=O)NCCNC(=O)c2cnccn2)cc1OC
InChIInChI=1S/C19H24N4O4/c1-3-27-16-6-4-14(12-17(16)26-2)5-7-18(24)22-10-11-23-19(25)15-13-20-8-9-21-15/h4,6,8-9,12-13H,3,5,7,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyIDMAPRFHGWMMKZ-UHFFFAOYSA-N
XLogP1.36
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide
CID 19221699
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268
3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide
CID 58655197
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide
CID 56809138
3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 38019578
3-(4-ethoxy-3-methoxyphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
CID 108574295
3-(4-ethoxy-3-methoxyphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 108725435
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 950063
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 108574288

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]ethyl]pyrazine-2-carboxamide (CID 108542841) is N-[2-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]ethyl]pyrazine-2-carboxamide is CCOc1ccc(CCC(=O)NCCNC(=O)c2cnccn2)cc1OC.
What is the InChIKey of N-[2-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]ethyl]pyrazine-2-carboxamide?
The InChIKey is IDMAPRFHGWMMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-3-27-16-6-4-14(12-17(16)26-2)5-7-18(24)22-10-11-23-19(25)15-13-20-8-9-21-15/h4,6,8-9,12-13H,3,5,7,10-11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]ethyl]pyrazine-2-carboxamide?
N-[2-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]ethyl]pyrazine-2-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 1.36, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 108542841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).