N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]pyrazine-2-carboxamide

C19H24N4O3 — CID 108541360

IUPACN-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]pyrazine-2-carboxamide
SMILESCC(Oc1ccccc1C(C)C)C(=O)NCCNC(=O)c1cnccn1
InChIInChI=1S/C19H24N4O3/c1-13(2)15-6-4-5-7-17(15)26-14(3)18(24)22-10-11-23-19(25)16-12-20-8-9-21-16/h4-9,12-14H,10-11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyRFPSOXXOUXXXOZ-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.91
Rot. Bonds8

About N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]pyrazine-2-carboxamide

N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]pyrazine-2-carboxamide (PubChem CID 108541360) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]pyrazine-2-carboxamide
PubChem CID108541360
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]pyrazine-2-carboxamide
SMILESCC(Oc1ccccc1C(C)C)C(=O)NCCNC(=O)c1cnccn1
InChIInChI=1S/C19H24N4O3/c1-13(2)15-6-4-5-7-17(15)26-14(3)18(24)22-10-11-23-19(25)16-12-20-8-9-21-16/h4-9,12-14H,10-11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyRFPSOXXOUXXXOZ-UHFFFAOYSA-N
XLogP1.91
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]furan-2-carboxamide
CID 108540374
(2R)-N-ethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 92685149
4-(dimethylamino)-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide
CID 108541365
(2S)-N-[2-(dimethylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 30379413
3-chloro-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide
CID 108539503
3-bromo-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide
CID 108539653
N-[2-(ethylsulfonylamino)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108572582
N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108541335
N-[2-oxo-2-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethylamino]ethyl]benzamide
CID 108539272
N-[(2-fluorophenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 17068382
N-(3-propan-2-yloxypropyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43877163
N-[2-(4-fluorophenoxy)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 133239810

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]pyrazine-2-carboxamide (CID 108541360) is N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]pyrazine-2-carboxamide is CC(Oc1ccccc1C(C)C)C(=O)NCCNC(=O)c1cnccn1.
What is the InChIKey of N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]pyrazine-2-carboxamide?
The InChIKey is RFPSOXXOUXXXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13(2)15-6-4-5-7-17(15)26-14(3)18(24)22-10-11-23-19(25)16-12-20-8-9-21-16/h4-9,12-14H,10-11H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]pyrazine-2-carboxamide?
N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]pyrazine-2-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 108541360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).